REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3nif_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QPVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.866 176.870 -0.007 0.000 1.165 1 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 1 L CB 0.000 42.064 42.059 0.008 0.000 0.961 2 N N 0.575 119.276 118.700 0.002 0.000 2.282 2 N HA 0.222 4.962 4.740 -0.000 0.000 0.240 2 N C -0.332 175.169 175.510 -0.014 0.000 1.182 2 N CA -0.215 52.826 53.050 -0.015 0.000 0.874 2 N CB 0.323 38.791 38.487 -0.031 0.000 1.126 2 N HN 0.335 nan 8.380 nan 0.000 0.516 3 L N 0.994 122.226 121.223 0.014 0.000 2.426 3 L HA 0.110 4.450 4.340 -0.000 0.000 0.271 3 L C 0.345 177.264 176.870 0.081 0.000 1.169 3 L CA -0.168 54.707 54.840 0.058 0.000 0.836 3 L CB 0.430 42.525 42.059 0.061 0.000 1.112 3 L HN 0.015 nan 8.230 nan 0.000 0.465 4 D N 4.796 125.262 120.400 0.109 0.000 2.339 4 D HA 0.166 4.806 4.640 -0.000 0.000 0.241 4 D C -1.812 174.591 176.300 0.171 0.000 1.183 4 D CA -1.897 52.159 54.000 0.092 0.000 0.859 4 D CB 1.227 42.052 40.800 0.041 0.000 1.067 4 D HN 0.188 nan 8.370 nan 0.000 0.484 5 P HA 0.065 nan 4.420 nan 0.000 0.266 5 P C 0.716 178.064 177.300 0.081 0.000 1.381 5 P CA -0.062 63.163 63.100 0.208 0.000 0.940 5 P CB 0.719 32.529 31.700 0.183 0.000 1.435 6 V N -0.355 119.582 119.914 0.037 0.000 2.436 6 V HA 0.066 4.186 4.120 -0.000 0.000 0.240 6 V C 1.185 177.271 176.094 -0.014 0.000 1.040 6 V CA 1.183 63.489 62.300 0.011 0.000 1.052 6 V CB -0.708 31.120 31.823 0.009 0.000 0.707 6 V HN 0.075 nan 8.190 nan 0.000 0.469 7 Q N 0.901 120.685 119.800 -0.027 0.000 2.563 7 Q HA 0.507 4.847 4.340 -0.000 0.000 0.232 7 Q C -0.977 174.954 176.000 -0.116 0.000 1.106 7 Q CA -0.070 55.705 55.803 -0.048 0.000 0.913 7 Q CB 0.975 29.701 28.738 -0.019 0.000 1.175 7 Q HN 0.471 nan 8.270 nan 0.000 0.540 8 L N 0.454 121.539 121.223 -0.230 0.000 2.431 8 L HA 0.596 4.936 4.340 -0.000 0.000 0.260 8 L C 0.270 176.848 176.870 -0.487 0.000 1.098 8 L CA -0.666 53.878 54.840 -0.493 0.000 0.800 8 L CB 1.376 42.911 42.059 -0.873 0.000 1.210 8 L HN 0.321 nan 8.230 nan 0.000 0.465 9 T N 0.604 114.832 114.554 -0.544 0.000 2.824 9 T HA 0.590 4.939 4.350 -0.000 0.000 0.282 9 T C -0.833 173.522 174.700 -0.575 0.000 0.993 9 T CA -0.279 61.574 62.100 -0.412 0.000 0.967 9 T CB 0.929 69.726 68.868 -0.120 0.000 0.960 9 T HN 0.128 nan 8.240 nan 0.000 0.441 10 F N 2.082 121.951 119.950 -0.135 0.000 2.482 10 F HA 0.592 5.119 4.527 -0.000 0.000 0.331 10 F C -0.488 175.228 175.800 -0.139 0.000 1.115 10 F CA -1.004 56.994 58.000 -0.003 0.000 0.955 10 F CB 1.363 40.389 39.000 0.044 0.000 1.136 10 F HN 0.491 nan 8.300 nan 0.000 0.452 11 Y N 1.438 121.945 120.300 0.346 0.000 2.468 11 Y HA 0.760 5.310 4.550 -0.000 0.000 0.342 11 Y C -0.101 175.871 175.900 0.121 0.000 1.021 11 Y CA -1.152 57.090 58.100 0.238 0.000 1.079 11 Y CB 2.095 40.763 38.460 0.347 0.000 1.226 11 Y HN 0.643 nan 8.280 nan 0.000 0.460 12 A N 1.208 123.945 122.820 -0.138 0.000 2.422 12 A HA 0.815 5.135 4.320 -0.000 0.000 0.302 12 A C -0.278 176.564 177.584 -1.236 0.000 1.041 12 A CA -0.221 51.493 52.037 -0.538 0.000 0.708 12 A CB 0.954 19.807 19.000 -0.244 0.000 1.257 12 A HN 0.878 nan 8.150 nan 0.000 0.414 13 G N 0.708 108.532 108.800 -1.628 0.000 2.705 13 G HA2 0.721 4.681 3.960 -0.000 0.000 0.299 13 G HA3 0.721 4.681 3.960 -0.000 0.000 0.299 13 G C -2.961 171.653 174.900 -0.476 0.000 1.315 13 G CA -1.825 42.522 45.100 -1.254 0.000 1.045 13 G HN 0.507 nan 8.290 nan 0.000 0.517 14 P HA 0.116 nan 4.420 nan 0.000 0.269 14 P C -0.407 176.869 177.300 -0.040 0.000 1.215 14 P CA -0.537 62.510 63.100 -0.087 0.000 0.780 14 P CB 0.443 32.156 31.700 0.021 0.000 0.898 15 N N 1.313 119.995 118.700 -0.030 0.000 2.412 15 N HA 0.195 4.935 4.740 -0.000 0.000 0.254 15 N C 1.622 177.146 175.510 0.023 0.000 1.232 15 N CA 1.638 54.683 53.050 -0.008 0.000 0.880 15 N CB -0.428 38.053 38.487 -0.011 0.000 1.076 15 N HN 0.756 nan 8.380 nan 0.000 0.458 16 G N 0.335 109.158 108.800 0.038 0.000 2.184 16 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.264 16 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.264 16 G C 1.003 175.949 174.900 0.077 0.000 0.975 16 G CA 0.936 46.067 45.100 0.053 0.000 0.642 16 G HN 0.719 nan 8.290 nan 0.000 0.536 17 S N -0.562 115.200 115.700 0.104 0.000 2.496 17 S HA 0.173 4.643 4.470 -0.000 0.000 0.224 17 S C 1.282 175.988 174.600 0.176 0.000 0.996 17 S CA 1.323 59.612 58.200 0.148 0.000 0.927 17 S CB -0.151 63.174 63.200 0.208 0.000 0.774 17 S HN 1.092 nan 8.310 nan 0.000 0.524 18 Q N -0.426 119.497 119.800 0.205 0.000 2.494 18 Q HA -0.194 4.146 4.340 -0.000 0.000 0.266 18 Q C -0.502 175.701 176.000 0.339 0.000 1.053 18 Q CA 0.487 56.460 55.803 0.283 0.000 1.029 18 Q CB -2.388 26.448 28.738 0.163 0.000 1.423 18 Q HN 0.740 nan 8.270 nan 0.000 0.516 19 F N 0.752 120.795 119.950 0.153 0.000 2.593 19 F HA 0.195 4.722 4.527 -0.000 0.000 0.393 19 F C 1.437 177.332 175.800 0.159 0.000 1.037 19 F CA 2.167 60.248 58.000 0.134 0.000 1.195 19 F CB 0.292 39.293 39.000 0.002 0.000 1.034 19 F HN 0.292 nan 8.300 nan 0.000 0.552 20 G N 4.902 113.649 108.800 -0.089 0.000 2.184 20 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.206 20 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.206 20 G C 0.702 175.718 174.900 0.193 0.000 0.995 20 G CA 0.094 45.201 45.100 0.012 0.000 0.651 20 G HN 0.729 nan 8.290 nan 0.000 0.511 21 F N 2.678 122.690 119.950 0.102 0.000 2.126 21 F HA 0.197 4.723 4.527 -0.000 0.000 0.299 21 F C 1.615 177.489 175.800 0.124 0.000 1.096 21 F CA 2.343 60.408 58.000 0.109 0.000 1.255 21 F CB 0.139 39.090 39.000 -0.082 0.000 0.997 21 F HN 0.534 nan 8.300 nan 0.000 0.479 22 S N 0.060 115.882 115.700 0.205 0.000 2.569 22 S HA 0.743 5.213 4.470 -0.000 0.000 0.280 22 S C -1.211 173.370 174.600 -0.031 0.000 1.111 22 S CA -0.557 57.677 58.200 0.058 0.000 0.887 22 S CB 2.493 65.746 63.200 0.088 0.000 1.095 22 S HN 0.275 nan 8.310 nan 0.000 0.476 23 L N -1.275 119.904 121.223 -0.073 0.000 2.775 23 L HA 0.988 5.328 4.340 -0.000 0.000 0.263 23 L C -1.428 175.366 176.870 -0.126 0.000 1.017 23 L CA -0.616 54.150 54.840 -0.124 0.000 0.891 23 L CB 0.727 42.682 42.059 -0.173 0.000 1.482 23 L HN 0.828 nan 8.230 nan 0.000 0.410 24 D N -0.671 119.638 120.400 -0.152 0.000 2.653 24 D HA 0.593 5.233 4.640 -0.000 0.000 0.258 24 D C -1.586 174.620 176.300 -0.155 0.000 1.252 24 D CA -0.264 53.662 54.000 -0.123 0.000 0.777 24 D CB 1.514 42.324 40.800 0.018 0.000 1.339 24 D HN 0.374 nan 8.370 nan 0.000 0.422 25 F N 1.166 121.147 119.950 0.051 0.000 2.418 25 F HA 0.374 4.901 4.527 -0.000 0.000 0.341 25 F C 0.530 176.396 175.800 0.109 0.000 1.120 25 F CA -0.023 58.011 58.000 0.058 0.000 1.232 25 F CB 0.803 39.813 39.000 0.017 0.000 1.175 25 F HN 0.244 nan 8.300 nan 0.000 0.569 26 H N 2.391 121.579 119.070 0.197 0.000 2.744 26 H HA 0.406 4.962 4.556 -0.000 0.000 0.339 26 H C -1.266 174.116 175.328 0.089 0.000 1.004 26 H CA -0.903 55.214 56.048 0.114 0.000 1.257 26 H CB 0.940 30.754 29.762 0.086 0.000 1.552 26 H HN 0.485 nan 8.280 nan 0.000 0.522 27 K N 4.099 124.214 120.400 -0.474 0.000 2.185 27 K HA 0.186 4.506 4.320 -0.000 0.000 0.269 27 K C -0.472 175.784 176.600 -0.574 0.000 0.987 27 K CA -0.981 55.088 56.287 -0.364 0.000 0.865 27 K CB 1.193 33.548 32.500 -0.242 0.000 1.090 27 K HN 0.762 nan 8.250 nan 0.000 0.450 28 D N 0.720 120.964 120.400 -0.259 0.000 2.414 28 D HA -0.067 4.573 4.640 -0.000 0.000 0.251 28 D C 1.042 177.232 176.300 -0.183 0.000 1.252 28 D CA -0.447 53.469 54.000 -0.140 0.000 0.999 28 D CB 0.539 41.378 40.800 0.065 0.000 1.093 28 D HN 0.386 nan 8.370 nan 0.000 0.515 29 S N -0.846 114.712 115.700 -0.236 0.000 2.440 29 S HA -0.261 4.209 4.470 -0.000 0.000 0.238 29 S C 1.213 175.596 174.600 -0.362 0.000 1.010 29 S CA 1.138 59.136 58.200 -0.338 0.000 0.972 29 S CB -0.982 61.977 63.200 -0.402 0.000 0.774 29 S HN 0.624 nan 8.310 nan 0.000 0.501 30 H N 0.726 119.764 119.070 -0.054 0.000 2.539 30 H HA 0.429 4.985 4.556 -0.000 0.000 0.267 30 H C 1.759 177.057 175.328 -0.050 0.000 0.982 30 H CA 0.194 56.217 56.048 -0.041 0.000 1.146 30 H CB -0.059 29.693 29.762 -0.017 0.000 1.382 30 H HN 0.550 nan 8.280 nan 0.000 0.577 31 G N 1.090 109.887 108.800 -0.004 0.000 2.159 31 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.256 31 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.256 31 G C 0.433 175.328 174.900 -0.008 0.000 0.977 31 G CA 0.020 45.099 45.100 -0.035 0.000 0.652 31 G HN 0.393 nan 8.290 nan 0.000 0.531 32 R N 0.551 121.077 120.500 0.044 0.000 2.370 32 R HA 0.474 4.814 4.340 -0.000 0.000 0.309 32 R C 0.514 176.851 176.300 0.062 0.000 1.059 32 R CA -0.045 56.097 56.100 0.070 0.000 0.981 32 R CB 0.561 30.929 30.300 0.113 0.000 0.972 32 R HN 0.145 nan 8.270 nan 0.000 0.437 33 V N 4.942 124.893 119.914 0.063 0.000 2.488 33 V HA 0.518 4.638 4.120 -0.000 0.000 0.277 33 V C 0.534 176.747 176.094 0.199 0.000 1.046 33 V CA 0.058 62.411 62.300 0.088 0.000 0.986 33 V CB 0.762 32.595 31.823 0.016 0.000 0.989 33 V HN 0.970 nan 8.190 nan 0.000 0.475 34 A N 5.822 128.784 122.820 0.236 0.000 2.389 34 A HA 0.936 5.256 4.320 -0.000 0.000 0.293 34 A C -0.756 176.961 177.584 0.221 0.000 1.186 34 A CA -0.795 51.393 52.037 0.252 0.000 0.828 34 A CB 1.261 20.403 19.000 0.237 0.000 1.369 34 A HN 0.690 nan 8.150 nan 0.000 0.446 35 I N 0.664 121.290 120.570 0.093 0.000 2.410 35 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 35 I C -0.539 175.548 176.117 -0.051 0.000 1.009 35 I CA -0.763 60.515 61.300 -0.037 0.000 1.111 35 I CB 1.692 39.585 38.000 -0.178 0.000 1.262 35 I HN 0.354 nan 8.210 nan 0.000 0.443 36 V N 8.389 128.285 119.914 -0.030 0.000 2.498 36 V HA 0.468 4.588 4.120 -0.000 0.000 0.279 36 V C -0.363 175.679 176.094 -0.087 0.000 1.048 36 V CA -0.007 62.273 62.300 -0.034 0.000 0.967 36 V CB 1.637 33.449 31.823 -0.018 0.000 0.988 36 V HN 0.461 nan 8.190 nan 0.000 0.473 37 V N 6.292 126.155 119.914 -0.085 0.000 2.588 37 V HA 0.681 4.801 4.120 -0.000 0.000 0.304 37 V C 0.612 176.655 176.094 -0.085 0.000 1.042 37 V CA -0.153 62.021 62.300 -0.211 0.000 0.877 37 V CB 1.623 33.085 31.823 -0.602 0.000 0.996 37 V HN 1.022 nan 8.190 nan 0.000 0.425 38 G N 2.634 111.392 108.800 -0.070 0.000 2.377 38 G HA2 0.627 4.587 3.960 -0.000 0.000 0.299 38 G HA3 0.627 4.587 3.960 -0.000 0.000 0.299 38 G C -0.251 174.691 174.900 0.069 0.000 1.150 38 G CA -0.087 45.023 45.100 0.016 0.000 0.847 38 G HN 1.219 nan 8.290 nan 0.000 0.501 39 A N 3.932 126.839 122.820 0.144 0.000 2.943 39 A HA 0.653 4.973 4.320 -0.000 0.000 0.327 39 A C -1.771 175.876 177.584 0.106 0.000 1.141 39 A CA -1.113 51.060 52.037 0.226 0.000 0.773 39 A CB 1.637 20.949 19.000 0.520 0.000 1.143 39 A HN 0.426 nan 8.150 nan 0.000 0.463 40 P HA -0.028 nan 4.420 nan 0.000 0.242 40 P C 0.687 177.956 177.300 -0.052 0.000 1.197 40 P CA 0.692 63.734 63.100 -0.096 0.000 0.765 40 P CB 0.220 31.742 31.700 -0.296 0.000 0.936 41 R N -1.067 119.428 120.500 -0.009 0.000 2.508 41 R HA 0.182 4.522 4.340 -0.000 0.000 0.300 41 R C 0.201 176.531 176.300 0.050 0.000 0.970 41 R CA 0.003 56.106 56.100 0.006 0.000 1.102 41 R CB 0.113 30.408 30.300 -0.008 0.000 1.246 41 R HN 0.073 nan 8.270 nan 0.000 0.539 42 T N 2.346 116.953 114.554 0.089 0.000 2.933 42 T HA 0.018 4.368 4.350 -0.000 0.000 0.306 42 T C 0.625 175.365 174.700 0.066 0.000 1.045 42 T CA 0.399 62.569 62.100 0.118 0.000 1.143 42 T CB 0.706 69.675 68.868 0.168 0.000 1.003 42 T HN 0.095 nan 8.240 nan 0.000 0.540 43 L N 2.723 123.985 121.223 0.066 0.000 2.380 43 L HA 0.419 4.759 4.340 -0.000 0.000 0.273 43 L C 1.366 178.256 176.870 0.034 0.000 1.138 43 L CA -0.441 54.425 54.840 0.043 0.000 0.832 43 L CB 0.263 42.347 42.059 0.041 0.000 1.124 43 L HN 0.801 nan 8.230 nan 0.000 0.454 44 G N 2.402 111.217 108.800 0.025 0.000 2.543 44 G HA2 0.327 4.287 3.960 -0.000 0.000 0.267 44 G HA3 0.327 4.287 3.960 -0.000 0.000 0.267 44 G C -1.633 173.280 174.900 0.021 0.000 1.406 44 G CA -0.531 44.580 45.100 0.018 0.000 1.048 44 G HN 0.512 nan 8.290 nan 0.000 0.548 45 P HA -0.009 nan 4.420 nan 0.000 0.217 45 P C 1.340 178.653 177.300 0.022 0.000 1.151 45 P CA 1.031 64.143 63.100 0.020 0.000 0.828 45 P CB 0.178 31.890 31.700 0.020 0.000 0.788 46 S N 0.362 116.077 115.700 0.025 0.000 2.710 46 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 46 S C 0.533 175.146 174.600 0.022 0.000 0.948 46 S CA -0.057 58.157 58.200 0.025 0.000 0.949 46 S CB -0.680 62.538 63.200 0.031 0.000 0.778 46 S HN 0.124 nan 8.310 nan 0.000 0.498 47 Q N 0.503 120.315 119.800 0.021 0.000 2.461 47 Q HA -0.186 4.153 4.340 -0.000 0.000 0.264 47 Q C -0.400 175.611 176.000 0.019 0.000 1.085 47 Q CA 1.062 56.877 55.803 0.020 0.000 1.006 47 Q CB -1.637 27.111 28.738 0.017 0.000 1.437 47 Q HN 0.617 nan 8.270 nan 0.000 0.514 48 E N 0.677 120.890 120.200 0.022 0.000 2.277 48 E HA 0.253 4.603 4.350 -0.000 0.000 0.274 48 E C 0.034 176.648 176.600 0.023 0.000 1.022 48 E CA -0.431 55.983 56.400 0.022 0.000 0.853 48 E CB 0.704 30.421 29.700 0.030 0.000 1.086 48 E HN 0.171 nan 8.360 nan 0.000 0.397 49 E N 0.614 120.825 120.200 0.018 0.000 2.376 49 E HA 0.029 4.379 4.350 -0.000 0.000 0.266 49 E C 0.553 177.169 176.600 0.027 0.000 1.009 49 E CA 0.373 56.785 56.400 0.019 0.000 0.902 49 E CB 0.550 30.252 29.700 0.004 0.000 0.972 49 E HN 0.553 nan 8.360 nan 0.000 0.439 50 T N -0.357 114.211 114.554 0.024 0.000 2.993 50 T HA 0.377 4.727 4.350 -0.000 0.000 0.260 50 T C 0.741 175.439 174.700 -0.004 0.000 0.939 50 T CA -0.005 62.110 62.100 0.024 0.000 0.886 50 T CB 0.689 69.566 68.868 0.014 0.000 1.209 50 T HN 0.754 nan 8.240 nan 0.000 0.518 51 G N -0.407 108.390 108.800 -0.006 0.000 2.707 51 G HA2 0.433 4.393 3.960 -0.000 0.000 0.686 51 G HA3 0.433 4.393 3.960 -0.000 0.000 0.686 51 G C -0.226 174.642 174.900 -0.054 0.000 1.315 51 G CA -0.428 44.657 45.100 -0.024 0.000 0.832 51 G HN 1.496 nan 8.290 nan 0.000 0.573 52 G N -2.005 106.763 108.800 -0.053 0.000 2.576 52 G HA2 0.819 4.779 3.960 -0.000 0.000 0.290 52 G HA3 0.819 4.779 3.960 -0.000 0.000 0.290 52 G C -1.379 173.434 174.900 -0.146 0.000 1.442 52 G CA 0.362 45.380 45.100 -0.136 0.000 0.792 52 G HN 1.712 nan 8.290 nan 0.000 0.491 53 V N -0.078 119.673 119.914 -0.272 0.000 2.735 53 V HA 0.763 4.883 4.120 -0.000 0.000 0.310 53 V C -1.180 174.671 176.094 -0.405 0.000 1.061 53 V CA -0.677 61.531 62.300 -0.153 0.000 0.913 53 V CB 1.709 33.566 31.823 0.055 0.000 1.005 53 V HN 0.617 nan 8.190 nan 0.000 0.428 54 F N 3.394 123.387 119.950 0.070 0.000 2.563 54 F HA 0.714 5.241 4.527 -0.000 0.000 0.316 54 F C -0.468 175.352 175.800 0.033 0.000 1.076 54 F CA -0.807 57.252 58.000 0.099 0.000 0.921 54 F CB 2.028 41.182 39.000 0.257 0.000 1.209 54 F HN 0.280 nan 8.300 nan 0.000 0.462 55 L N 3.642 124.983 121.223 0.197 0.000 2.324 55 L HA 0.528 4.868 4.340 -0.000 0.000 0.274 55 L C -1.207 175.730 176.870 0.113 0.000 1.012 55 L CA -0.561 54.334 54.840 0.092 0.000 0.859 55 L CB 0.452 42.525 42.059 0.024 0.000 1.224 55 L HN 0.671 nan 8.230 nan 0.000 0.429 56 c N 6.876 125.505 118.600 0.049 0.000 2.281 56 c HA 0.465 5.035 4.570 -0.000 0.000 0.336 56 c C -1.972 172.143 174.090 0.042 0.000 1.217 56 c CA -1.177 55.136 56.329 -0.027 0.000 1.730 56 c CB -0.049 42.201 42.510 -0.434 0.000 2.338 56 c HN 0.620 nan 8.230 nan 0.000 0.521 57 P HA -0.022 nan 4.420 nan 0.000 0.272 57 P C -0.151 177.349 177.300 0.334 0.000 1.223 57 P CA -0.304 62.926 63.100 0.217 0.000 0.784 57 P CB 0.484 32.289 31.700 0.175 0.000 0.923 58 W N 5.072 126.488 121.300 0.192 0.000 2.303 58 W HA 0.203 4.863 4.660 -0.000 0.000 0.318 58 W C -0.877 175.772 176.519 0.216 0.000 1.362 58 W CA -0.246 57.248 57.345 0.248 0.000 1.234 58 W CB 0.357 29.928 29.460 0.184 0.000 1.248 58 W HN 0.390 nan 8.180 nan 0.000 0.546 59 R N 4.700 124.722 120.500 -0.796 0.000 2.535 59 R HA 0.323 4.663 4.340 -0.000 0.000 0.274 59 R C 0.656 176.216 176.300 -1.233 0.000 1.090 59 R CA -0.273 55.272 56.100 -0.925 0.000 0.930 59 R CB 1.555 31.636 30.300 -0.366 0.000 1.223 59 R HN 0.533 nan 8.270 nan 0.000 0.441 60 A N 2.426 124.611 122.820 -1.058 0.000 1.948 60 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 60 A C 1.736 179.069 177.584 -0.417 0.000 1.177 60 A CA 1.973 53.624 52.037 -0.643 0.000 0.636 60 A CB -0.336 18.516 19.000 -0.247 0.000 0.815 60 A HN 0.854 nan 8.150 nan 0.000 0.449 61 E N -0.172 119.816 120.200 -0.353 0.000 2.427 61 E HA 0.241 4.591 4.350 -0.000 0.000 0.196 61 E C 1.232 177.650 176.600 -0.303 0.000 1.028 61 E CA 0.987 57.240 56.400 -0.245 0.000 0.864 61 E CB -0.954 28.645 29.700 -0.169 0.000 0.813 61 E HN 0.975 nan 8.360 nan 0.000 0.514 62 G N 0.848 109.353 108.800 -0.491 0.000 2.547 62 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.271 62 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.271 62 G C 0.638 175.288 174.900 -0.417 0.000 1.209 62 G CA 0.911 45.530 45.100 -0.801 0.000 0.959 62 G HN 1.277 nan 8.290 nan 0.000 0.563 63 G N -2.527 106.093 108.800 -0.301 0.000 2.358 63 G HA2 0.377 4.337 3.960 -0.000 0.000 0.198 63 G HA3 0.377 4.337 3.960 -0.000 0.000 0.198 63 G C -0.352 174.570 174.900 0.038 0.000 1.220 63 G CA 0.629 45.682 45.100 -0.077 0.000 1.187 63 G HN 1.385 nan 8.290 nan 0.000 0.544 64 Q N -0.547 119.274 119.800 0.035 0.000 2.205 64 Q HA 0.623 4.963 4.340 -0.000 0.000 0.249 64 Q C -0.644 175.428 176.000 0.119 0.000 0.948 64 Q CA -0.231 55.580 55.803 0.013 0.000 0.895 64 Q CB 2.011 30.728 28.738 -0.036 0.000 1.249 64 Q HN 0.724 nan 8.270 nan 0.000 0.458 65 c N 1.843 120.508 118.600 0.109 0.000 2.634 65 c HA 0.600 5.170 4.570 -0.000 0.000 0.313 65 c C -2.125 172.136 174.090 0.286 0.000 1.198 65 c CA -1.326 55.133 56.329 0.217 0.000 1.605 65 c CB 1.618 44.298 42.510 0.283 0.000 2.196 65 c HN 0.692 nan 8.230 nan 0.000 0.486 66 P HA 0.227 nan 4.420 nan 0.000 0.274 66 P C -0.509 176.955 177.300 0.272 0.000 1.231 66 P CA 0.150 63.383 63.100 0.222 0.000 0.790 66 P CB 0.575 32.349 31.700 0.124 0.000 0.951 67 S N 1.042 116.824 115.700 0.138 0.000 2.576 67 S HA 0.197 4.667 4.470 -0.000 0.000 0.276 67 S C 0.185 174.706 174.600 -0.132 0.000 1.339 67 S CA -0.393 57.726 58.200 -0.136 0.000 1.039 67 S CB 0.085 63.164 63.200 -0.201 0.000 0.902 67 S HN 0.409 nan 8.310 nan 0.000 0.516 68 L N 4.024 125.124 121.223 -0.205 0.000 2.272 68 L HA 0.429 4.769 4.340 -0.000 0.000 0.284 68 L C -0.899 175.734 176.870 -0.394 0.000 1.045 68 L CA -0.087 54.605 54.840 -0.248 0.000 0.842 68 L CB -0.165 41.801 42.059 -0.155 0.000 1.224 68 L HN 0.557 nan 8.230 nan 0.000 0.430 69 L N 5.370 126.347 121.223 -0.409 0.000 2.367 69 L HA 0.340 4.680 4.340 -0.000 0.000 0.275 69 L C -0.639 175.879 176.870 -0.587 0.000 1.129 69 L CA 0.236 54.867 54.840 -0.348 0.000 0.839 69 L CB 0.321 42.258 42.059 -0.203 0.000 1.133 69 L HN 0.438 nan 8.230 nan 0.000 0.453 70 F N 0.242 120.102 119.950 -0.151 0.000 2.593 70 F HA 0.259 4.786 4.527 -0.000 0.000 0.320 70 F C 0.288 176.017 175.800 -0.119 0.000 1.060 70 F CA -1.024 56.886 58.000 -0.150 0.000 0.940 70 F CB 1.271 40.047 39.000 -0.373 0.000 1.268 70 F HN 0.349 nan 8.300 nan 0.000 0.475 71 D N 2.124 122.636 120.400 0.188 0.000 2.358 71 D HA 0.135 4.774 4.640 -0.000 0.000 0.258 71 D C 0.296 176.659 176.300 0.105 0.000 1.223 71 D CA 0.486 54.570 54.000 0.140 0.000 0.886 71 D CB 0.683 41.600 40.800 0.196 0.000 1.120 71 D HN 0.512 nan 8.370 nan 0.000 0.482 72 L N 3.466 124.719 121.223 0.049 0.000 2.700 72 L HA 0.230 4.570 4.340 -0.000 0.000 0.234 72 L C 0.853 177.759 176.870 0.061 0.000 1.156 72 L CA -0.213 54.644 54.840 0.029 0.000 0.946 72 L CB 0.072 42.130 42.059 -0.003 0.000 1.216 72 L HN 0.027 nan 8.230 nan 0.000 0.493 73 R N 0.266 120.811 120.500 0.075 0.000 2.357 73 R HA 0.220 4.560 4.340 -0.000 0.000 0.296 73 R C -0.477 175.864 176.300 0.068 0.000 1.052 73 R CA -0.658 55.480 56.100 0.062 0.000 0.988 73 R CB 0.700 31.030 30.300 0.051 0.000 1.025 73 R HN -0.085 nan 8.270 nan 0.000 0.469 74 D N 2.185 122.610 120.400 0.042 0.000 2.423 74 D HA 0.037 4.677 4.640 -0.000 0.000 0.238 74 D C -0.247 176.034 176.300 -0.032 0.000 1.142 74 D CA 0.504 54.500 54.000 -0.007 0.000 0.884 74 D CB 0.703 41.475 40.800 -0.046 0.000 1.199 74 D HN 0.361 nan 8.370 nan 0.000 0.438 75 E N -0.009 120.152 120.200 -0.065 0.000 2.256 75 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 75 E C -0.795 175.740 176.600 -0.108 0.000 0.892 75 E CA -0.831 55.545 56.400 -0.040 0.000 0.775 75 E CB 1.987 31.708 29.700 0.036 0.000 1.207 75 E HN 0.165 nan 8.360 nan 0.000 0.420 76 T N 1.783 116.291 114.554 -0.076 0.000 2.886 76 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 76 T C -0.964 173.708 174.700 -0.047 0.000 1.012 76 T CA -0.779 61.264 62.100 -0.094 0.000 0.982 76 T CB 1.296 70.110 68.868 -0.090 0.000 1.018 76 T HN 0.264 nan 8.240 nan 0.000 0.451 77 R N 2.615 123.088 120.500 -0.046 0.000 2.510 77 R HA 0.317 4.657 4.340 -0.000 0.000 0.294 77 R C -1.322 174.965 176.300 -0.022 0.000 1.056 77 R CA -0.655 55.436 56.100 -0.016 0.000 0.918 77 R CB 0.778 31.091 30.300 0.021 0.000 1.187 77 R HN 0.554 nan 8.270 nan 0.000 0.437 78 N N 3.340 122.030 118.700 -0.016 0.000 2.439 78 N HA 0.294 5.033 4.740 -0.000 0.000 0.249 78 N C -1.166 174.342 175.510 -0.002 0.000 1.003 78 N CA -0.117 52.925 53.050 -0.013 0.000 0.942 78 N CB 2.102 40.580 38.487 -0.014 0.000 1.115 78 N HN 0.275 nan 8.380 nan 0.000 0.505 79 V N 0.278 120.194 119.914 0.003 0.000 3.147 79 V HA 0.548 4.668 4.120 -0.000 0.000 0.299 79 V C 0.487 176.590 176.094 0.015 0.000 1.302 79 V CA -0.121 62.186 62.300 0.012 0.000 1.015 79 V CB 1.617 33.453 31.823 0.022 0.000 1.086 79 V HN 0.839 nan 8.190 nan 0.000 0.437 80 G N 3.950 112.760 108.800 0.016 0.000 2.341 80 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.292 80 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.292 80 G C 0.632 175.539 174.900 0.012 0.000 1.021 80 G CA 1.189 46.299 45.100 0.017 0.000 0.905 80 G HN 2.114 nan 8.290 nan 0.000 0.508 81 S N -2.087 113.617 115.700 0.007 0.000 3.521 81 S HA -0.219 4.251 4.470 -0.000 0.000 0.328 81 S C 0.607 175.208 174.600 0.001 0.000 1.165 81 S CA 2.136 60.338 58.200 0.004 0.000 0.941 81 S CB -0.947 62.255 63.200 0.004 0.000 0.951 81 S HN 1.134 nan 8.310 nan 0.000 0.539 82 Q N -0.556 119.244 119.800 -0.000 0.000 2.458 82 Q HA 0.605 4.945 4.340 -0.000 0.000 0.282 82 Q C -0.742 175.244 176.000 -0.023 0.000 1.106 82 Q CA -0.811 54.986 55.803 -0.009 0.000 0.814 82 Q CB 1.863 30.601 28.738 -0.001 0.000 1.425 82 Q HN 0.184 nan 8.270 nan 0.000 0.437 83 T N 1.773 116.299 114.554 -0.048 0.000 2.809 83 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 83 T C -0.444 174.166 174.700 -0.150 0.000 1.015 83 T CA -0.515 61.541 62.100 -0.074 0.000 0.954 83 T CB 0.228 69.059 68.868 -0.062 0.000 0.950 83 T HN 0.251 nan 8.240 nan 0.000 0.450 84 L N 3.610 124.731 121.223 -0.170 0.000 2.312 84 L HA 0.557 4.897 4.340 -0.000 0.000 0.281 84 L C 0.273 176.903 176.870 -0.399 0.000 1.070 84 L CA -0.707 53.922 54.840 -0.353 0.000 0.805 84 L CB 0.879 42.868 42.059 -0.116 0.000 1.174 84 L HN 0.484 nan 8.230 nan 0.000 0.434 85 Q N 1.778 121.165 119.800 -0.689 0.000 2.263 85 Q HA 0.367 4.707 4.340 -0.000 0.000 0.266 85 Q C -0.775 174.933 176.000 -0.487 0.000 1.002 85 Q CA -0.642 54.825 55.803 -0.560 0.000 0.790 85 Q CB 2.806 31.230 28.738 -0.523 0.000 1.272 85 Q HN 0.735 nan 8.270 nan 0.000 0.435 86 T N -1.096 113.282 114.554 -0.293 0.000 2.902 86 T HA 0.761 5.111 4.350 -0.000 0.000 0.283 86 T C -0.607 173.877 174.700 -0.360 0.000 1.009 86 T CA -0.435 61.646 62.100 -0.032 0.000 1.051 86 T CB 0.602 69.578 68.868 0.178 0.000 0.999 86 T HN 0.315 nan 8.240 nan 0.000 0.474 87 F N 1.083 121.152 119.950 0.198 0.000 2.612 87 F HA 0.474 5.001 4.527 -0.000 0.000 0.332 87 F C 0.991 176.898 175.800 0.178 0.000 1.167 87 F CA -0.937 57.155 58.000 0.154 0.000 0.970 87 F CB 2.313 41.393 39.000 0.134 0.000 1.234 87 F HN 0.609 nan 8.300 nan 0.000 0.453 88 K N 1.719 122.289 120.400 0.284 0.000 2.358 88 K HA 0.386 4.706 4.320 -0.000 0.000 0.197 88 K C 0.615 177.322 176.600 0.179 0.000 1.025 88 K CA -0.130 56.289 56.287 0.221 0.000 1.104 88 K CB 0.711 33.310 32.500 0.165 0.000 0.855 88 K HN 0.572 nan 8.250 nan 0.000 0.531 89 A N 1.986 124.912 122.820 0.177 0.000 2.524 89 A HA 0.056 4.376 4.320 -0.000 0.000 0.250 89 A C 0.119 177.771 177.584 0.114 0.000 1.078 89 A CA 0.183 52.288 52.037 0.113 0.000 0.761 89 A CB -0.196 18.853 19.000 0.082 0.000 1.012 89 A HN 0.507 nan 8.150 nan 0.000 0.500 90 R N 0.456 121.006 120.500 0.084 0.000 3.758 90 R HA -0.263 4.077 4.340 -0.000 0.000 0.299 90 R C 1.156 177.569 176.300 0.188 0.000 1.182 90 R CA 1.259 57.405 56.100 0.078 0.000 0.809 90 R CB -1.920 28.390 30.300 0.016 0.000 1.249 90 R HN 1.048 nan 8.270 nan 0.000 0.497 91 Q N 0.062 119.990 119.800 0.213 0.000 2.369 91 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 91 Q C 1.147 177.326 176.000 0.298 0.000 0.963 91 Q CA 1.012 56.984 55.803 0.281 0.000 0.894 91 Q CB 0.317 29.178 28.738 0.206 0.000 0.965 91 Q HN 0.443 nan 8.270 nan 0.000 0.475 92 G N 1.852 110.796 108.800 0.240 0.000 2.246 92 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 92 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 92 G C -0.260 174.617 174.900 -0.037 0.000 1.055 92 G CA 0.124 45.338 45.100 0.191 0.000 0.851 92 G HN 0.440 nan 8.290 nan 0.000 0.500 93 L N 0.032 121.214 121.223 -0.067 0.000 2.584 93 L HA 0.482 4.822 4.340 -0.000 0.000 0.272 93 L C 1.463 178.243 176.870 -0.151 0.000 1.195 93 L CA 1.819 56.560 54.840 -0.166 0.000 0.920 93 L CB 0.318 42.209 42.059 -0.279 0.000 1.173 93 L HN 1.689 nan 8.230 nan 0.000 0.489 94 G N 2.904 111.609 108.800 -0.158 0.000 2.159 94 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.227 94 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.227 94 G C 0.803 175.661 174.900 -0.069 0.000 0.986 94 G CA 0.247 45.290 45.100 -0.096 0.000 0.651 94 G HN 1.308 nan 8.290 nan 0.000 0.523 95 A N -0.404 122.319 122.820 -0.161 0.000 2.119 95 A HA 0.559 4.879 4.320 -0.000 0.000 0.217 95 A C 1.542 179.134 177.584 0.012 0.000 1.153 95 A CA 2.136 54.072 52.037 -0.168 0.000 0.692 95 A CB -0.158 18.562 19.000 -0.467 0.000 0.799 95 A HN 2.097 nan 8.150 nan 0.000 0.458 96 S N -1.196 114.453 115.700 -0.085 0.000 2.540 96 S HA 0.626 5.096 4.470 -0.000 0.000 0.275 96 S C -0.858 173.707 174.600 -0.058 0.000 1.123 96 S CA -0.061 58.100 58.200 -0.064 0.000 0.907 96 S CB 1.533 64.662 63.200 -0.120 0.000 1.081 96 S HN 1.318 nan 8.310 nan 0.000 0.476 97 V N -0.414 119.479 119.914 -0.035 0.000 2.841 97 V HA 1.009 5.129 4.120 -0.000 0.000 0.310 97 V C -0.858 175.235 176.094 -0.001 0.000 1.090 97 V CA -0.721 61.566 62.300 -0.021 0.000 0.930 97 V CB 1.125 32.939 31.823 -0.015 0.000 1.014 97 V HN 1.295 nan 8.190 nan 0.000 0.425 98 V N 2.399 122.333 119.914 0.032 0.000 3.012 98 V HA 0.837 4.956 4.120 -0.000 0.000 0.307 98 V C -0.581 175.595 176.094 0.136 0.000 1.166 98 V CA 0.445 62.786 62.300 0.070 0.000 0.974 98 V CB 2.509 34.364 31.823 0.053 0.000 1.040 98 V HN 1.513 nan 8.190 nan 0.000 0.428 99 S N 5.152 120.967 115.700 0.191 0.000 2.503 99 S HA 0.807 5.277 4.470 -0.000 0.000 0.301 99 S C -1.689 173.104 174.600 0.321 0.000 1.087 99 S CA -0.431 57.940 58.200 0.285 0.000 1.042 99 S CB 1.360 64.777 63.200 0.362 0.000 1.043 99 S HN 1.012 nan 8.310 nan 0.000 0.489 100 W N 4.335 125.709 121.300 0.124 0.000 3.259 100 W HA 0.534 5.194 4.660 -0.000 0.000 0.331 100 W C 0.208 176.757 176.519 0.050 0.000 1.144 100 W CA 0.432 57.817 57.345 0.067 0.000 1.227 100 W CB 1.149 30.640 29.460 0.051 0.000 1.371 100 W HN 0.975 nan 8.180 nan 0.000 0.491 101 S N 2.540 117.683 115.700 -0.928 0.000 4.054 101 S HA -0.366 4.104 4.470 -0.000 0.000 0.618 101 S C 0.600 174.964 174.600 -0.393 0.000 2.026 101 S CA 2.169 59.857 58.200 -0.853 0.000 4.205 101 S CB -1.195 61.227 63.200 -1.297 0.000 0.233 101 S HN 0.989 nan 8.310 nan 0.000 0.612 102 D N 1.638 121.885 120.400 -0.254 0.000 2.491 102 D HA 0.440 5.080 4.640 -0.000 0.000 0.228 102 D C 0.057 176.468 176.300 0.185 0.000 1.183 102 D CA -0.025 53.941 54.000 -0.057 0.000 0.827 102 D CB -0.139 40.601 40.800 -0.100 0.000 0.989 102 D HN 0.373 nan 8.370 nan 0.000 0.494 103 V N 0.601 120.653 119.914 0.230 0.000 2.667 103 V HA 0.439 4.559 4.120 -0.000 0.000 0.308 103 V C 0.125 176.418 176.094 0.331 0.000 1.048 103 V CA -0.890 61.588 62.300 0.297 0.000 0.928 103 V CB 2.276 34.312 31.823 0.355 0.000 1.004 103 V HN 0.083 nan 8.190 nan 0.000 0.444 104 I N 3.472 124.189 120.570 0.245 0.000 2.433 104 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 104 I C -0.872 175.370 176.117 0.208 0.000 1.001 104 I CA -0.787 60.620 61.300 0.179 0.000 1.119 104 I CB 2.160 40.185 38.000 0.042 0.000 1.289 104 I HN 0.258 nan 8.210 nan 0.000 0.438 105 V N 5.555 125.557 119.914 0.148 0.000 2.409 105 V HA 0.710 4.830 4.120 -0.000 0.000 0.291 105 V C -0.017 176.085 176.094 0.013 0.000 1.020 105 V CA -0.470 61.878 62.300 0.081 0.000 0.848 105 V CB 1.398 33.257 31.823 0.059 0.000 0.990 105 V HN 0.807 nan 8.190 nan 0.000 0.430 106 A N 4.230 127.013 122.820 -0.061 0.000 2.356 106 A HA 0.775 5.095 4.320 -0.000 0.000 0.310 106 A C -0.587 176.921 177.584 -0.128 0.000 1.075 106 A CA -0.365 51.592 52.037 -0.133 0.000 0.746 106 A CB 1.229 20.085 19.000 -0.240 0.000 1.221 106 A HN 0.807 nan 8.150 nan 0.000 0.443 107 c N 1.299 119.828 118.600 -0.118 0.000 2.454 107 c HA 0.858 5.428 4.570 -0.000 0.000 0.336 107 c C 0.824 174.829 174.090 -0.142 0.000 1.189 107 c CA -0.149 56.116 56.329 -0.107 0.000 1.877 107 c CB 1.371 43.789 42.510 -0.153 0.000 2.348 107 c HN 1.063 nan 8.230 nan 0.000 0.508 108 A N 2.987 125.750 122.820 -0.094 0.000 2.802 108 A HA 0.540 4.860 4.320 -0.000 0.000 0.344 108 A C -1.667 175.778 177.584 -0.233 0.000 1.215 108 A CA -0.881 51.092 52.037 -0.106 0.000 0.821 108 A CB 0.158 19.218 19.000 0.100 0.000 1.099 108 A HN 0.692 nan 8.150 nan 0.000 0.479 109 P HA -0.096 nan 4.420 nan 0.000 0.222 109 P C 0.441 177.360 177.300 -0.634 0.000 1.147 109 P CA 1.023 63.709 63.100 -0.690 0.000 0.790 109 P CB 0.085 31.132 31.700 -1.089 0.000 0.780 110 W N 0.251 121.539 121.300 -0.021 0.000 3.223 110 W HA 0.320 4.980 4.660 -0.000 0.000 0.389 110 W C 0.601 177.156 176.519 0.060 0.000 1.118 110 W CA -0.577 56.767 57.345 -0.002 0.000 1.902 110 W CB -0.875 28.615 29.460 0.050 0.000 1.094 110 W HN 0.110 nan 8.180 nan 0.000 0.666 111 Q N 1.310 121.202 119.800 0.153 0.000 2.300 111 Q HA -0.020 4.320 4.340 -0.000 0.000 0.280 111 Q C -0.701 175.413 176.000 0.190 0.000 1.033 111 Q CA 0.834 56.770 55.803 0.221 0.000 0.903 111 Q CB 0.571 29.406 28.738 0.162 0.000 1.195 111 Q HN 0.148 nan 8.270 nan 0.000 0.386 112 H N 2.584 121.826 119.070 0.287 0.000 2.544 112 H HA 0.512 5.068 4.556 -0.000 0.000 0.342 112 H C -1.195 174.448 175.328 0.525 0.000 1.185 112 H CA -0.303 55.946 56.048 0.335 0.000 1.264 112 H CB 1.089 30.998 29.762 0.245 0.000 1.607 112 H HN 0.667 nan 8.280 nan 0.000 0.550 113 W N 2.105 123.623 121.300 0.363 0.000 3.217 113 W HA 0.403 5.063 4.660 -0.000 0.000 0.323 113 W C -1.893 174.805 176.519 0.297 0.000 1.216 113 W CA -0.419 57.094 57.345 0.279 0.000 1.194 113 W CB 2.271 31.781 29.460 0.084 0.000 1.397 113 W HN 0.554 nan 8.180 nan 0.000 0.537 114 N N 2.040 120.507 118.700 -0.389 0.000 2.591 114 N HA 0.605 5.345 4.740 -0.000 0.000 0.263 114 N C -2.259 172.829 175.510 -0.703 0.000 1.308 114 N CA -0.399 52.441 53.050 -0.352 0.000 0.837 114 N CB 2.572 41.089 38.487 0.051 0.000 1.548 114 N HN 0.133 nan 8.380 nan 0.000 0.493 115 V N 2.378 122.072 119.914 -0.365 0.000 2.577 115 V HA 0.527 4.647 4.120 -0.000 0.000 0.303 115 V C -0.463 175.571 176.094 -0.100 0.000 1.042 115 V CA -0.662 61.480 62.300 -0.264 0.000 0.872 115 V CB 1.531 33.279 31.823 -0.124 0.000 0.998 115 V HN 0.485 nan 8.190 nan 0.000 0.423 116 L N 3.900 125.073 121.223 -0.084 0.000 2.325 116 L HA 0.730 5.070 4.340 -0.000 0.000 0.278 116 L C -0.195 176.663 176.870 -0.020 0.000 1.023 116 L CA -0.417 54.403 54.840 -0.033 0.000 0.811 116 L CB 1.941 43.985 42.059 -0.025 0.000 1.249 116 L HN 0.691 nan 8.230 nan 0.000 0.431 117 E N 3.802 124.000 120.200 -0.003 0.000 2.432 117 E HA 0.257 4.607 4.350 -0.000 0.000 0.272 117 E C -0.713 175.890 176.600 0.005 0.000 0.937 117 E CA -0.327 56.074 56.400 0.001 0.000 0.812 117 E CB 0.872 30.575 29.700 0.006 0.000 1.377 117 E HN 0.613 nan 8.360 nan 0.000 0.399 118 K N 0.004 120.406 120.400 0.004 0.000 1.795 118 K HA -0.296 4.024 4.320 -0.000 0.000 0.138 118 K C 1.076 177.681 176.600 0.009 0.000 1.027 118 K CA 2.239 58.529 56.287 0.006 0.000 0.303 118 K CB -1.653 30.851 32.500 0.007 0.000 0.699 118 K HN 0.625 nan 8.250 nan 0.000 0.789 119 T N 0.152 114.713 114.554 0.012 0.000 3.107 119 T HA 0.156 4.505 4.350 -0.000 0.000 0.249 119 T C 0.440 175.151 174.700 0.020 0.000 1.096 119 T CA 0.275 62.384 62.100 0.015 0.000 1.012 119 T CB 0.035 68.912 68.868 0.015 0.000 0.977 119 T HN 0.346 nan 8.240 nan 0.000 0.527 120 E N 1.216 121.429 120.200 0.021 0.000 2.254 120 E HA 0.605 4.955 4.350 -0.000 0.000 0.258 120 E C -0.346 176.272 176.600 0.030 0.000 1.033 120 E CA -0.961 55.456 56.400 0.029 0.000 0.893 120 E CB 1.165 30.883 29.700 0.030 0.000 1.204 120 E HN 0.694 nan 8.360 nan 0.000 0.425 121 E N -1.074 119.153 120.200 0.045 0.000 2.423 121 E HA 0.503 4.853 4.350 -0.000 0.000 0.280 121 E C -0.524 176.125 176.600 0.082 0.000 1.030 121 E CA -0.770 55.657 56.400 0.044 0.000 0.812 121 E CB 0.979 30.701 29.700 0.037 0.000 1.313 121 E HN 0.397 nan 8.360 nan 0.000 0.456 122 A N 1.152 124.023 122.820 0.085 0.000 2.014 122 A HA 0.019 4.338 4.320 -0.000 0.000 0.218 122 A C 0.146 177.821 177.584 0.152 0.000 1.163 122 A CA 1.608 53.740 52.037 0.158 0.000 0.652 122 A CB -0.698 18.405 19.000 0.171 0.000 0.808 122 A HN 0.669 nan 8.150 nan 0.000 0.449 123 E N -2.087 118.180 120.200 0.111 0.000 7.482 123 E HA -0.079 4.271 4.350 -0.000 0.000 0.413 123 E C -0.771 175.903 176.600 0.123 0.000 0.576 123 E CA 0.047 56.518 56.400 0.118 0.000 1.334 123 E CB -0.378 29.418 29.700 0.159 0.000 0.936 123 E HN 0.469 nan 8.360 nan 0.000 0.262 124 K N 2.663 123.124 120.400 0.102 0.000 2.338 124 K HA 0.279 4.599 4.320 -0.000 0.000 0.290 124 K C -0.529 176.232 176.600 0.269 0.000 1.069 124 K CA 0.624 56.986 56.287 0.125 0.000 0.941 124 K CB 0.447 32.907 32.500 -0.067 0.000 1.023 124 K HN 0.471 nan 8.250 nan 0.000 0.477 125 T N 1.269 116.021 114.554 0.330 0.000 2.883 125 T HA 0.460 4.810 4.350 -0.000 0.000 0.301 125 T C -2.887 171.780 174.700 -0.055 0.000 1.158 125 T CA -2.120 60.129 62.100 0.248 0.000 1.007 125 T CB 1.909 70.879 68.868 0.171 0.000 1.186 125 T HN 0.315 nan 8.240 nan 0.000 0.499 126 P HA 0.237 nan 4.420 nan 0.000 0.247 126 P C 1.331 178.504 177.300 -0.212 0.000 1.756 126 P CA -0.552 62.250 63.100 -0.498 0.000 1.117 126 P CB 0.243 31.732 31.700 -0.351 0.000 1.869 127 V N 0.338 120.149 119.914 -0.171 0.000 2.809 127 V HA 0.221 4.340 4.120 -0.000 0.000 0.256 127 V C 1.003 176.942 176.094 -0.259 0.000 1.080 127 V CA 0.927 63.086 62.300 -0.235 0.000 1.102 127 V CB -1.870 29.779 31.823 -0.291 0.000 0.705 127 V HN 0.655 nan 8.190 nan 0.000 0.475 128 G N -0.412 108.264 108.800 -0.206 0.000 2.787 128 G HA2 0.091 4.051 3.960 -0.000 0.000 0.685 128 G HA3 0.091 4.051 3.960 -0.000 0.000 0.685 128 G C -0.384 174.369 174.900 -0.244 0.000 1.437 128 G CA 0.047 45.015 45.100 -0.220 0.000 0.872 128 G HN 1.560 nan 8.290 nan 0.000 0.566 129 S N -1.366 114.201 115.700 -0.222 0.000 2.547 129 S HA 0.664 5.134 4.470 -0.000 0.000 0.270 129 S C -0.472 173.960 174.600 -0.279 0.000 1.150 129 S CA 0.120 58.141 58.200 -0.300 0.000 0.850 129 S CB 1.276 64.290 63.200 -0.310 0.000 1.118 129 S HN 1.523 nan 8.310 nan 0.000 0.461 130 c N 3.095 121.480 118.600 -0.358 0.000 2.456 130 c HA 0.769 5.339 4.570 -0.000 0.000 0.325 130 c C -1.106 172.705 174.090 -0.466 0.000 1.217 130 c CA -0.624 55.554 56.329 -0.252 0.000 1.687 130 c CB 0.230 42.665 42.510 -0.125 0.000 2.270 130 c HN 0.756 nan 8.230 nan 0.000 0.499 131 F N 2.595 122.353 119.950 -0.321 0.000 2.458 131 F HA 0.692 5.219 4.527 -0.000 0.000 0.336 131 F C -0.119 175.536 175.800 -0.242 0.000 1.114 131 F CA -0.651 57.114 58.000 -0.392 0.000 0.987 131 F CB 0.905 39.369 39.000 -0.893 0.000 1.130 131 F HN 0.171 nan 8.300 nan 0.000 0.458 132 L N 3.216 124.449 121.223 0.017 0.000 2.334 132 L HA 0.876 5.216 4.340 -0.000 0.000 0.276 132 L C -0.347 176.718 176.870 0.325 0.000 1.014 132 L CA -0.566 54.328 54.840 0.090 0.000 0.815 132 L CB 1.853 43.762 42.059 -0.250 0.000 1.268 132 L HN 0.729 nan 8.230 nan 0.000 0.428 133 A N 2.318 125.403 122.820 0.442 0.000 2.422 133 A HA 0.660 4.980 4.320 -0.000 0.000 0.302 133 A C -1.070 176.702 177.584 0.312 0.000 1.041 133 A CA -0.520 51.728 52.037 0.353 0.000 0.708 133 A CB 1.549 20.657 19.000 0.180 0.000 1.257 133 A HN 0.639 nan 8.150 nan 0.000 0.414 134 Q N 3.085 123.019 119.800 0.223 0.000 2.509 134 Q HA 0.345 4.685 4.340 -0.000 0.000 0.236 134 Q C -2.037 173.992 176.000 0.048 0.000 1.073 134 Q CA -2.100 53.756 55.803 0.089 0.000 0.867 134 Q CB 1.135 29.848 28.738 -0.041 0.000 1.181 134 Q HN 0.462 nan 8.270 nan 0.000 0.526 135 P HA -0.205 nan 4.420 nan 0.000 0.215 135 P C 0.251 177.561 177.300 0.018 0.000 1.157 135 P CA 1.377 64.476 63.100 -0.001 0.000 0.874 135 P CB 0.342 32.032 31.700 -0.016 0.000 0.790 136 E N -0.502 119.722 120.200 0.039 0.000 2.153 136 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 136 E C 1.985 178.594 176.600 0.015 0.000 0.988 136 E CA 1.730 58.150 56.400 0.034 0.000 0.811 136 E CB -0.324 29.391 29.700 0.026 0.000 0.746 136 E HN 0.365 nan 8.360 nan 0.000 0.466 137 S N -1.559 114.143 115.700 0.003 0.000 2.483 137 S HA 0.203 4.673 4.470 -0.000 0.000 0.221 137 S C 1.698 176.303 174.600 0.009 0.000 1.030 137 S CA 0.409 58.609 58.200 -0.001 0.000 0.925 137 S CB 0.848 64.037 63.200 -0.019 0.000 0.795 137 S HN 0.351 nan 8.310 nan 0.000 0.511 138 G N 1.475 110.281 108.800 0.011 0.000 2.175 138 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 138 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 138 G C 0.116 175.044 174.900 0.045 0.000 0.982 138 G CA -0.200 44.906 45.100 0.009 0.000 0.641 138 G HN 0.462 nan 8.290 nan 0.000 0.527 139 R N 0.375 120.924 120.500 0.082 0.000 2.623 139 R HA 0.467 4.807 4.340 -0.000 0.000 0.271 139 R C 0.437 176.908 176.300 0.284 0.000 1.043 139 R CA 0.254 56.462 56.100 0.181 0.000 1.083 139 R CB 0.348 30.748 30.300 0.167 0.000 0.974 139 R HN 0.287 nan 8.270 nan 0.000 0.436 140 R N 0.214 120.879 120.500 0.274 0.000 2.744 140 R HA 0.724 5.064 4.340 -0.000 0.000 0.279 140 R C -0.842 175.405 176.300 -0.088 0.000 0.977 140 R CA -0.828 55.367 56.100 0.159 0.000 0.906 140 R CB 2.368 32.739 30.300 0.118 0.000 1.197 140 R HN 0.754 nan 8.270 nan 0.000 0.463 141 A N 1.271 123.792 122.820 -0.499 0.000 2.583 141 A HA 0.756 5.076 4.320 -0.000 0.000 0.289 141 A C -1.380 175.586 177.584 -1.031 0.000 1.151 141 A CA -0.681 50.694 52.037 -1.103 0.000 0.695 141 A CB 2.020 20.295 19.000 -1.208 0.000 1.290 141 A HN 0.622 nan 8.150 nan 0.000 0.419 142 E N -1.068 118.429 120.200 -1.173 0.000 2.393 142 E HA 0.538 4.888 4.350 -0.000 0.000 0.273 142 E C -2.244 174.353 176.600 -0.006 0.000 0.918 142 E CA -0.549 55.510 56.400 -0.569 0.000 0.773 142 E CB 2.672 32.070 29.700 -0.504 0.000 1.275 142 E HN 0.531 nan 8.360 nan 0.000 0.451 143 Y N 0.526 120.694 120.300 -0.219 0.000 2.361 143 Y HA 0.384 4.934 4.550 -0.000 0.000 0.328 143 Y C -1.249 174.470 175.900 -0.302 0.000 1.044 143 Y CA -0.797 57.200 58.100 -0.170 0.000 1.085 143 Y CB 2.060 40.412 38.460 -0.181 0.000 1.194 143 Y HN 0.412 nan 8.280 nan 0.000 0.438 144 S N 8.436 123.696 115.700 -0.733 0.000 2.317 144 S HA 0.307 4.777 4.470 -0.000 0.000 0.144 144 S C -2.188 171.877 174.600 -0.891 0.000 1.660 144 S CA -1.058 56.692 58.200 -0.750 0.000 1.273 144 S CB 0.538 63.391 63.200 -0.578 0.000 1.330 144 S HN 0.604 nan 8.310 nan 0.000 0.395 145 P HA 0.047 nan 4.420 nan 0.000 0.225 145 P C 0.913 177.885 177.300 -0.546 0.000 1.148 145 P CA 0.702 63.327 63.100 -0.792 0.000 0.779 145 P CB -0.161 31.084 31.700 -0.758 0.000 0.780 146 c N -0.819 117.457 118.600 -0.540 0.000 2.696 146 c HA 0.220 4.790 4.570 -0.000 0.000 0.264 146 c C 1.402 175.207 174.090 -0.475 0.000 1.288 146 c CA -0.512 55.555 56.329 -0.437 0.000 1.717 146 c CB -1.313 40.953 42.510 -0.406 0.000 1.893 146 c HN 0.190 nan 8.230 nan 0.000 0.577 147 R N 1.295 121.385 120.500 -0.684 0.000 2.585 147 R HA 0.394 4.734 4.340 -0.000 0.000 0.275 147 R C 0.511 176.523 176.300 -0.482 0.000 1.018 147 R CA 0.687 56.211 56.100 -0.960 0.000 1.072 147 R CB 0.172 29.589 30.300 -1.471 0.000 0.953 147 R HN 0.545 nan 8.270 nan 0.000 0.419 148 G N 0.515 109.233 108.800 -0.137 0.000 2.725 148 G HA2 0.198 4.158 3.960 -0.000 0.000 0.288 148 G HA3 0.198 4.158 3.960 -0.000 0.000 0.288 148 G C -0.601 174.511 174.900 0.353 0.000 1.399 148 G CA -0.699 44.463 45.100 0.102 0.000 0.859 148 G HN 0.681 nan 8.290 nan 0.000 0.479 149 N N -0.978 117.855 118.700 0.221 0.000 2.299 149 N HA 0.135 4.875 4.740 -0.000 0.000 0.246 149 N C -0.175 175.404 175.510 0.114 0.000 1.254 149 N CA -0.272 52.894 53.050 0.194 0.000 0.879 149 N CB 0.690 39.264 38.487 0.145 0.000 1.214 149 N HN 0.245 nan 8.380 nan 0.000 0.510 150 T N 1.615 116.238 114.554 0.115 0.000 2.869 150 T HA 0.366 4.716 4.350 -0.000 0.000 0.295 150 T C 0.571 175.334 174.700 0.105 0.000 0.987 150 T CA -0.359 61.744 62.100 0.005 0.000 1.109 150 T CB 1.189 69.917 68.868 -0.233 0.000 0.932 150 T HN 0.105 nan 8.240 nan 0.000 0.518 151 L N 1.869 123.115 121.223 0.039 0.000 2.439 151 L HA 0.274 4.614 4.340 -0.000 0.000 0.261 151 L C 2.074 179.038 176.870 0.157 0.000 1.153 151 L CA -0.446 54.451 54.840 0.095 0.000 0.808 151 L CB 0.655 42.740 42.059 0.044 0.000 1.126 151 L HN 0.702 nan 8.230 nan 0.000 0.460 152 S N 1.153 116.973 115.700 0.200 0.000 2.372 152 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 152 S C 2.045 176.747 174.600 0.171 0.000 1.044 152 S CA 1.991 60.343 58.200 0.254 0.000 1.050 152 S CB -0.231 63.077 63.200 0.181 0.000 0.901 152 S HN 0.701 nan 8.310 nan 0.000 0.447 153 R N 0.135 120.684 120.500 0.082 0.000 2.139 153 R HA -0.094 4.246 4.340 -0.000 0.000 0.243 153 R C 1.991 178.270 176.300 -0.035 0.000 1.145 153 R CA 1.828 57.942 56.100 0.024 0.000 0.976 153 R CB -0.322 29.988 30.300 0.016 0.000 0.866 153 R HN 0.447 nan 8.270 nan 0.000 0.449 154 I N 0.119 120.644 120.570 -0.074 0.000 2.353 154 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 154 I C 1.740 177.714 176.117 -0.237 0.000 1.119 154 I CA 1.227 62.423 61.300 -0.173 0.000 1.417 154 I CB -1.245 36.608 38.000 -0.245 0.000 1.078 154 I HN 0.156 nan 8.210 nan 0.000 0.421 155 Y N 0.846 121.050 120.300 -0.161 0.000 2.200 155 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 155 Y C 2.740 178.224 175.900 -0.693 0.000 1.137 155 Y CA 1.086 58.994 58.100 -0.321 0.000 1.163 155 Y CB -1.130 37.175 38.460 -0.260 0.000 0.988 155 Y HN -0.133 nan 8.280 nan 0.000 0.518 156 V N 0.280 119.894 119.914 -0.500 0.000 2.287 156 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 156 V C 1.954 177.909 176.094 -0.232 0.000 1.053 156 V CA 2.221 64.222 62.300 -0.497 0.000 1.027 156 V CB -0.564 31.185 31.823 -0.122 0.000 0.646 156 V HN 0.441 nan 8.190 nan 0.000 0.447 157 E N -0.086 120.027 120.200 -0.144 0.000 2.274 157 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 157 E C 1.282 177.840 176.600 -0.070 0.000 0.996 157 E CA 0.659 57.012 56.400 -0.078 0.000 0.840 157 E CB -0.088 29.576 29.700 -0.059 0.000 0.772 157 E HN 0.599 nan 8.360 nan 0.000 0.491 158 N N 1.126 119.765 118.700 -0.101 0.000 2.238 158 N HA -0.017 4.723 4.740 -0.000 0.000 0.222 158 N C -0.831 174.666 175.510 -0.023 0.000 1.133 158 N CA 0.191 53.214 53.050 -0.046 0.000 0.854 158 N CB 0.705 39.173 38.487 -0.032 0.000 1.041 158 N HN 0.048 nan 8.380 nan 0.000 0.510 159 D N 0.490 120.859 120.400 -0.052 0.000 2.772 159 D HA -0.222 4.418 4.640 -0.000 0.000 0.233 159 D C -0.284 176.140 176.300 0.208 0.000 1.143 159 D CA 0.539 54.590 54.000 0.084 0.000 0.700 159 D CB -1.632 39.213 40.800 0.076 0.000 1.076 159 D HN 0.332 nan 8.370 nan 0.000 0.430 160 F N -1.770 118.241 119.950 0.102 0.000 3.074 160 F HA -0.287 4.240 4.527 -0.000 0.000 0.289 160 F C 1.246 177.111 175.800 0.108 0.000 0.863 160 F CA 0.894 58.985 58.000 0.152 0.000 1.121 160 F CB -2.422 36.572 39.000 -0.010 0.000 1.169 160 F HN 0.152 nan 8.300 nan 0.000 0.570 161 S N -1.690 114.116 115.700 0.176 0.000 2.584 161 S HA 0.392 4.862 4.470 -0.000 0.000 0.273 161 S C 0.175 174.877 174.600 0.171 0.000 1.311 161 S CA -0.059 58.139 58.200 -0.004 0.000 1.034 161 S CB 0.506 63.684 63.200 -0.037 0.000 0.939 161 S HN 0.473 nan 8.310 nan 0.000 0.513 162 W N -0.261 121.095 121.300 0.095 0.000 5.770 162 W HA -0.164 4.496 4.660 -0.000 0.000 0.389 162 W C -0.256 176.488 176.519 0.376 0.000 1.469 162 W CA 0.594 58.059 57.345 0.201 0.000 0.975 162 W CB -1.677 27.854 29.460 0.119 0.000 2.622 162 W HN 0.813 nan 8.180 nan 0.000 1.500 163 D N 1.064 121.749 120.400 0.474 0.000 2.441 163 D HA 0.191 4.831 4.640 -0.000 0.000 0.221 163 D C 0.800 177.074 176.300 -0.043 0.000 1.156 163 D CA -0.060 54.066 54.000 0.211 0.000 0.896 163 D CB 0.599 41.529 40.800 0.218 0.000 1.028 163 D HN 0.250 nan 8.370 nan 0.000 0.509 164 K N 2.577 122.901 120.400 -0.128 0.000 2.397 164 K HA 0.179 4.499 4.320 -0.000 0.000 0.202 164 K C 1.602 177.905 176.600 -0.495 0.000 1.022 164 K CA -0.241 55.854 56.287 -0.320 0.000 1.141 164 K CB 0.849 33.213 32.500 -0.226 0.000 0.857 164 K HN 0.210 nan 8.250 nan 0.000 0.514 165 R N 0.104 120.145 120.500 -0.766 0.000 2.120 165 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 165 R C 0.574 176.412 176.300 -0.770 0.000 1.123 165 R CA 1.361 56.973 56.100 -0.814 0.000 0.975 165 R CB -0.074 29.645 30.300 -0.967 0.000 0.866 165 R HN 0.284 nan 8.270 nan 0.000 0.446 166 Y N -2.248 117.849 120.300 -0.339 0.000 2.708 166 Y HA 0.211 4.761 4.550 -0.000 0.000 0.287 166 Y C 1.612 177.311 175.900 -0.335 0.000 1.145 166 Y CA -1.306 56.581 58.100 -0.355 0.000 1.249 166 Y CB -0.828 37.282 38.460 -0.584 0.000 1.152 166 Y HN -0.045 nan 8.280 nan 0.000 0.532 167 c N 0.733 119.151 118.600 -0.303 0.000 2.385 167 c HA -0.262 4.308 4.570 -0.000 0.000 0.275 167 c C 1.389 175.353 174.090 -0.210 0.000 1.207 167 c CA 1.812 57.971 56.329 -0.284 0.000 1.760 167 c CB -0.780 41.535 42.510 -0.325 0.000 2.051 167 c HN 0.739 nan 8.230 nan 0.000 0.467 168 E N -0.757 119.329 120.200 -0.190 0.000 2.320 168 E HA -0.224 4.126 4.350 -0.000 0.000 0.234 168 E C 0.121 176.600 176.600 -0.202 0.000 1.183 168 E CA 0.040 56.329 56.400 -0.185 0.000 0.713 168 E CB -1.373 28.279 29.700 -0.081 0.000 1.226 168 E HN 0.771 nan 8.360 nan 0.000 0.382 169 A N 0.228 122.901 122.820 -0.245 0.000 2.546 169 A HA 0.398 4.718 4.320 -0.000 0.000 0.243 169 A C 1.629 179.078 177.584 -0.225 0.000 1.063 169 A CA 1.060 52.949 52.037 -0.247 0.000 0.757 169 A CB 0.197 19.000 19.000 -0.328 0.000 0.991 169 A HN 1.071 nan 8.150 nan 0.000 0.503 170 G N 1.251 109.949 108.800 -0.171 0.000 2.176 170 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.232 170 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.232 170 G C 0.751 175.550 174.900 -0.169 0.000 0.986 170 G CA 0.676 45.677 45.100 -0.165 0.000 0.643 170 G HN 1.168 nan 8.290 nan 0.000 0.522 171 F N 2.715 122.467 119.950 -0.329 0.000 2.147 171 F HA 0.096 4.623 4.527 -0.000 0.000 0.301 171 F C 1.661 177.305 175.800 -0.260 0.000 1.084 171 F CA 2.447 60.235 58.000 -0.354 0.000 1.268 171 F CB 0.069 38.869 39.000 -0.334 0.000 1.009 171 F HN 0.598 nan 8.300 nan 0.000 0.486 172 S N -1.106 114.622 115.700 0.046 0.000 2.595 172 S HA 0.723 5.193 4.470 -0.000 0.000 0.281 172 S C -0.622 173.934 174.600 -0.073 0.000 1.117 172 S CA -0.131 58.050 58.200 -0.032 0.000 0.873 172 S CB 1.961 65.162 63.200 0.003 0.000 1.108 172 S HN 0.389 nan 8.310 nan 0.000 0.477 173 S N -0.149 115.501 115.700 -0.083 0.000 2.550 173 S HA 0.867 5.337 4.470 -0.000 0.000 0.270 173 S C -1.262 173.290 174.600 -0.080 0.000 1.145 173 S CA -0.743 57.405 58.200 -0.087 0.000 0.852 173 S CB 1.290 64.447 63.200 -0.072 0.000 1.119 173 S HN 1.877 nan 8.310 nan 0.000 0.465 174 V N 0.814 120.672 119.914 -0.094 0.000 3.147 174 V HA 0.723 4.843 4.120 -0.000 0.000 0.299 174 V C -1.848 174.187 176.094 -0.099 0.000 1.302 174 V CA -0.521 61.733 62.300 -0.077 0.000 1.015 174 V CB 2.141 33.910 31.823 -0.090 0.000 1.086 174 V HN 1.116 nan 8.190 nan 0.000 0.437 175 V N 3.846 123.719 119.914 -0.069 0.000 2.487 175 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 175 V C 0.434 176.439 176.094 -0.148 0.000 1.028 175 V CA -0.072 62.134 62.300 -0.158 0.000 0.860 175 V CB 1.897 33.620 31.823 -0.167 0.000 0.991 175 V HN 1.105 nan 8.190 nan 0.000 0.427 176 T N 1.427 115.864 114.554 -0.194 0.000 2.802 176 T HA 0.079 4.429 4.350 -0.000 0.000 0.305 176 T C 1.035 175.676 174.700 -0.098 0.000 1.053 176 T CA -0.144 61.902 62.100 -0.090 0.000 1.058 176 T CB 0.828 69.667 68.868 -0.049 0.000 0.988 176 T HN 0.599 nan 8.240 nan 0.000 0.539 177 Q N 1.013 120.853 119.800 0.066 0.000 2.112 177 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 177 Q C 2.463 178.612 176.000 0.248 0.000 0.987 177 Q CA 1.989 57.921 55.803 0.214 0.000 0.858 177 Q CB -0.835 27.995 28.738 0.153 0.000 0.905 177 Q HN 0.963 nan 8.270 nan 0.000 0.420 178 A N -0.334 122.520 122.820 0.057 0.000 2.235 178 A HA 0.263 4.583 4.320 -0.000 0.000 0.208 178 A C 1.235 178.712 177.584 -0.177 0.000 1.172 178 A CA 0.925 52.982 52.037 0.033 0.000 0.786 178 A CB -0.304 18.694 19.000 -0.004 0.000 0.804 178 A HN 0.448 nan 8.150 nan 0.000 0.479 179 G N -0.373 108.035 108.800 -0.652 0.000 2.204 179 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 179 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 179 G C -0.418 174.002 174.900 -0.801 0.000 1.062 179 G CA 0.149 44.311 45.100 -1.564 0.000 0.798 179 G HN 0.615 nan 8.290 nan 0.000 0.496 180 E N -0.421 119.474 120.200 -0.508 0.000 2.109 180 E HA 0.524 4.874 4.350 -0.000 0.000 0.278 180 E C 0.215 176.630 176.600 -0.309 0.000 0.954 180 E CA -0.930 55.279 56.400 -0.318 0.000 0.779 180 E CB 1.777 31.371 29.700 -0.177 0.000 1.093 180 E HN 0.245 nan 8.360 nan 0.000 0.401 181 L N 4.408 125.463 121.223 -0.280 0.000 2.360 181 L HA 0.194 4.534 4.340 -0.000 0.000 0.276 181 L C -1.087 175.674 176.870 -0.182 0.000 1.121 181 L CA -0.076 54.635 54.840 -0.215 0.000 0.845 181 L CB 0.838 42.785 42.059 -0.186 0.000 1.143 181 L HN 0.300 nan 8.230 nan 0.000 0.452 182 V N 6.949 126.746 119.914 -0.195 0.000 2.444 182 V HA 0.418 4.538 4.120 -0.000 0.000 0.294 182 V C -0.074 175.922 176.094 -0.164 0.000 1.022 182 V CA -0.617 61.544 62.300 -0.231 0.000 0.850 182 V CB 1.485 33.026 31.823 -0.469 0.000 0.992 182 V HN 0.589 nan 8.190 nan 0.000 0.426 183 L N 4.032 125.190 121.223 -0.108 0.000 2.307 183 L HA 0.706 5.046 4.340 -0.000 0.000 0.284 183 L C 0.895 177.690 176.870 -0.126 0.000 1.023 183 L CA -0.456 54.322 54.840 -0.103 0.000 0.810 183 L CB 1.695 43.703 42.059 -0.083 0.000 1.231 183 L HN 0.749 nan 8.230 nan 0.000 0.423 184 G N 1.791 110.521 108.800 -0.117 0.000 2.390 184 G HA2 0.530 4.490 3.960 -0.000 0.000 0.270 184 G HA3 0.530 4.490 3.960 -0.000 0.000 0.270 184 G C -0.342 174.496 174.900 -0.104 0.000 1.211 184 G CA -0.213 44.819 45.100 -0.112 0.000 0.842 184 G HN 0.735 nan 8.290 nan 0.000 0.519 185 A N 4.584 127.331 122.820 -0.121 0.000 3.082 185 A HA 0.646 4.966 4.320 -0.000 0.000 0.328 185 A C -1.536 175.963 177.584 -0.142 0.000 1.089 185 A CA -1.117 50.823 52.037 -0.161 0.000 0.802 185 A CB 1.554 20.428 19.000 -0.209 0.000 1.138 185 A HN 0.448 nan 8.150 nan 0.000 0.474 186 P HA -0.040 nan 4.420 nan 0.000 0.230 186 P C 1.235 178.566 177.300 0.052 0.000 1.158 186 P CA 1.496 64.533 63.100 -0.104 0.000 0.769 186 P CB 0.228 31.659 31.700 -0.448 0.000 0.807 187 G N -0.272 108.488 108.800 -0.066 0.000 3.042 187 G HA2 0.173 4.133 3.960 -0.000 0.000 0.212 187 G HA3 0.173 4.133 3.960 -0.000 0.000 0.212 187 G C 0.847 175.595 174.900 -0.252 0.000 1.166 187 G CA 0.042 45.088 45.100 -0.090 0.000 0.767 187 G HN 0.383 nan 8.290 nan 0.000 0.546 188 G N -0.516 108.158 108.800 -0.210 0.000 2.484 188 G HA2 0.278 4.238 3.960 -0.000 0.000 0.235 188 G HA3 0.278 4.238 3.960 -0.000 0.000 0.235 188 G C 0.007 174.773 174.900 -0.224 0.000 1.282 188 G CA -0.277 44.602 45.100 -0.368 0.000 0.857 188 G HN 0.395 nan 8.290 nan 0.000 0.571 189 Y N -0.502 119.738 120.300 -0.101 0.000 3.027 189 Y HA -0.224 4.326 4.550 -0.000 0.000 0.195 189 Y C 0.743 176.657 175.900 0.023 0.000 1.381 189 Y CA 0.642 58.709 58.100 -0.056 0.000 1.015 189 Y CB -2.837 35.556 38.460 -0.111 0.000 1.329 189 Y HN 0.884 nan 8.280 nan 0.000 0.462 190 Y N -0.884 119.417 120.300 0.001 0.000 3.078 190 Y HA -0.230 4.320 4.550 -0.000 0.000 0.202 190 Y C 0.752 176.675 175.900 0.039 0.000 1.322 190 Y CA 1.099 59.185 58.100 -0.023 0.000 1.118 190 Y CB -1.775 36.709 38.460 0.041 0.000 1.343 190 Y HN 0.487 nan 8.280 nan 0.000 0.499 191 F N -3.796 116.261 119.950 0.178 0.000 2.746 191 F HA -0.396 4.131 4.527 -0.000 0.000 0.315 191 F C 1.154 177.073 175.800 0.198 0.000 0.666 191 F CA 0.606 58.728 58.000 0.203 0.000 1.381 191 F CB -1.982 37.134 39.000 0.193 0.000 1.739 191 F HN 0.208 nan 8.300 nan 0.000 0.322 192 L N 0.101 121.489 121.223 0.274 0.000 2.044 192 L HA 0.388 4.728 4.340 -0.000 0.000 0.205 192 L C 1.627 178.692 176.870 0.325 0.000 1.075 192 L CA 1.986 56.992 54.840 0.276 0.000 0.747 192 L CB -0.849 41.347 42.059 0.228 0.000 0.903 192 L HN 0.567 nan 8.230 nan 0.000 0.435 193 G N -0.707 108.245 108.800 0.253 0.000 2.674 193 G HA2 0.242 4.202 3.960 -0.000 0.000 0.686 193 G HA3 0.242 4.202 3.960 -0.000 0.000 0.686 193 G C -1.376 173.681 174.900 0.260 0.000 1.195 193 G CA -0.447 44.817 45.100 0.272 0.000 0.776 193 G HN 0.435 nan 8.290 nan 0.000 0.654 194 L N -0.926 120.390 121.223 0.155 0.000 2.491 194 L HA 1.016 5.356 4.340 -0.000 0.000 0.254 194 L C -1.043 175.884 176.870 0.095 0.000 1.048 194 L CA -1.498 53.417 54.840 0.126 0.000 0.855 194 L CB 1.573 43.433 42.059 -0.331 0.000 1.466 194 L HN 0.744 nan 8.230 nan 0.000 0.409 195 L N 1.498 122.756 121.223 0.059 0.000 2.346 195 L HA 0.965 5.305 4.340 -0.000 0.000 0.274 195 L C -0.222 176.569 176.870 -0.132 0.000 1.007 195 L CA -0.263 54.538 54.840 -0.065 0.000 0.818 195 L CB 1.832 43.892 42.059 0.002 0.000 1.284 195 L HN 1.026 nan 8.230 nan 0.000 0.424 196 A N 3.058 125.840 122.820 -0.064 0.000 2.356 196 A HA 0.756 5.076 4.320 -0.000 0.000 0.310 196 A C -1.196 176.444 177.584 0.093 0.000 1.075 196 A CA -0.486 51.554 52.037 0.005 0.000 0.746 196 A CB 1.576 20.530 19.000 -0.075 0.000 1.221 196 A HN 0.539 nan 8.150 nan 0.000 0.443 197 Q N 1.419 121.309 119.800 0.150 0.000 2.356 197 Q HA 0.758 5.098 4.340 -0.000 0.000 0.270 197 Q C -1.445 174.560 176.000 0.009 0.000 1.058 197 Q CA -0.465 55.373 55.803 0.058 0.000 0.802 197 Q CB 2.142 30.921 28.738 0.069 0.000 1.303 197 Q HN 1.393 nan 8.270 nan 0.000 0.444 198 A N 4.374 127.104 122.820 -0.151 0.000 2.574 198 A HA 0.695 5.015 4.320 -0.000 0.000 0.297 198 A C -2.804 174.626 177.584 -0.256 0.000 1.062 198 A CA -1.288 50.610 52.037 -0.232 0.000 0.686 198 A CB 1.678 20.420 19.000 -0.430 0.000 1.285 198 A HN 0.550 nan 8.150 nan 0.000 0.403 199 P HA 0.185 nan 4.420 nan 0.000 0.268 199 P C 1.126 178.330 177.300 -0.160 0.000 1.204 199 P CA -0.061 62.935 63.100 -0.173 0.000 0.768 199 P CB 0.744 32.383 31.700 -0.102 0.000 0.842 200 V N 3.473 123.290 119.914 -0.161 0.000 2.332 200 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 200 V C 2.358 178.559 176.094 0.179 0.000 1.055 200 V CA 2.739 65.040 62.300 0.001 0.000 1.038 200 V CB -1.545 30.303 31.823 0.042 0.000 0.651 200 V HN 0.667 nan 8.190 nan 0.000 0.450 201 A N 0.040 122.925 122.820 0.108 0.000 1.908 201 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 201 A C 1.937 179.609 177.584 0.147 0.000 1.181 201 A CA 2.273 54.392 52.037 0.137 0.000 0.627 201 A CB -0.624 18.422 19.000 0.076 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.445 202 D N -0.339 120.105 120.400 0.074 0.000 2.183 202 D HA -0.018 4.622 4.640 -0.000 0.000 0.203 202 D C 1.762 178.113 176.300 0.086 0.000 0.969 202 D CA 0.682 54.722 54.000 0.068 0.000 0.842 202 D CB -0.294 40.518 40.800 0.021 0.000 0.957 202 D HN 0.523 nan 8.370 nan 0.000 0.484 203 I N -0.088 120.495 120.570 0.022 0.000 2.179 203 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 203 I C 1.916 178.059 176.117 0.042 0.000 1.088 203 I CA 0.947 62.238 61.300 -0.014 0.000 1.357 203 I CB -0.178 37.691 38.000 -0.219 0.000 1.051 203 I HN -0.084 nan 8.210 nan 0.000 0.409 204 F N 0.967 120.944 119.950 0.046 0.000 2.113 204 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 204 F C 2.956 178.807 175.800 0.085 0.000 1.103 204 F CA 1.848 59.887 58.000 0.066 0.000 1.248 204 F CB -0.616 38.416 39.000 0.052 0.000 0.999 204 F HN 0.110 nan 8.300 nan 0.000 0.475 205 S N -1.208 114.649 115.700 0.261 0.000 2.481 205 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 205 S C 1.831 176.502 174.600 0.119 0.000 0.996 205 S CA 0.918 59.215 58.200 0.162 0.000 0.942 205 S CB -0.710 62.563 63.200 0.122 0.000 0.768 205 S HN 0.366 nan 8.310 nan 0.000 0.520 206 S N -0.714 115.072 115.700 0.143 0.000 2.502 206 S HA 0.222 4.692 4.470 -0.000 0.000 0.215 206 S C 0.270 174.858 174.600 -0.020 0.000 1.009 206 S CA -0.765 57.519 58.200 0.140 0.000 0.908 206 S CB -0.658 62.707 63.200 0.275 0.000 0.801 206 S HN 0.603 nan 8.310 nan 0.000 0.505 207 Y N 3.244 123.411 120.300 -0.221 0.000 2.319 207 Y HA 0.619 5.169 4.550 -0.000 0.000 0.328 207 Y C 0.046 175.668 175.900 -0.463 0.000 1.133 207 Y CA -0.627 57.098 58.100 -0.625 0.000 1.265 207 Y CB 0.537 38.719 38.460 -0.462 0.000 1.218 207 Y HN 0.039 nan 8.280 nan 0.000 0.508 208 R N 6.193 125.873 120.500 -1.367 0.000 2.673 208 R HA 0.377 4.717 4.340 -0.000 0.000 0.281 208 R C -2.970 172.498 176.300 -1.386 0.000 0.991 208 R CA -2.343 53.127 56.100 -1.050 0.000 0.896 208 R CB 1.500 31.485 30.300 -0.526 0.000 1.201 208 R HN 0.545 nan 8.270 nan 0.000 0.457 209 P HA 0.097 nan 4.420 nan 0.000 0.271 209 P C 0.660 177.770 177.300 -0.317 0.000 1.218 209 P CA 0.473 63.272 63.100 -0.501 0.000 0.780 209 P CB 0.653 32.266 31.700 -0.144 0.000 0.901 210 G N 2.101 110.792 108.800 -0.181 0.000 2.199 210 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 210 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 210 G C 0.872 175.734 174.900 -0.064 0.000 0.982 210 G CA 0.140 45.191 45.100 -0.082 0.000 0.632 210 G HN 0.452 nan 8.290 nan 0.000 0.529 211 I N 0.331 120.816 120.570 -0.141 0.000 2.333 211 I HA 0.086 4.256 4.170 -0.000 0.000 0.246 211 I C 2.681 178.892 176.117 0.157 0.000 1.106 211 I CA 2.024 63.301 61.300 -0.039 0.000 1.411 211 I CB -0.931 36.989 38.000 -0.134 0.000 1.082 211 I HN 0.492 nan 8.210 nan 0.000 0.420 212 L N -1.506 119.884 121.223 0.279 0.000 3.015 212 L HA -0.289 4.051 4.340 -0.000 0.000 0.389 212 L C 0.468 177.581 176.870 0.404 0.000 0.737 212 L CA 1.120 56.225 54.840 0.441 0.000 3.213 212 L CB -1.280 41.017 42.059 0.396 0.000 0.600 212 L HN 0.134 nan 8.230 nan 0.000 0.774 213 L N 0.121 121.533 121.223 0.314 0.000 2.319 213 L HA 0.502 4.842 4.340 -0.000 0.000 0.281 213 L C -0.811 176.132 176.870 0.122 0.000 1.005 213 L CA -0.403 54.466 54.840 0.048 0.000 0.828 213 L CB 1.380 43.461 42.059 0.036 0.000 1.227 213 L HN 0.354 nan 8.230 nan 0.000 0.415 214 W N 2.826 123.998 121.300 -0.214 0.000 3.137 214 W HA 0.459 5.119 4.660 -0.000 0.000 0.324 214 W C -1.332 175.050 176.519 -0.228 0.000 1.253 214 W CA -0.843 56.365 57.345 -0.229 0.000 1.183 214 W CB 0.607 30.006 29.460 -0.101 0.000 1.424 214 W HN 0.225 nan 8.180 nan 0.000 0.566 215 H N 1.655 120.807 119.070 0.136 0.000 2.620 215 H HA 0.403 4.959 4.556 -0.000 0.000 0.313 215 H C -0.470 174.932 175.328 0.123 0.000 1.075 215 H CA -0.507 55.562 56.048 0.035 0.000 1.397 215 H CB 1.803 31.598 29.762 0.054 0.000 1.446 215 H HN 0.340 nan 8.280 nan 0.000 0.493 216 V N 4.013 124.022 119.914 0.159 0.000 2.270 216 V HA -0.024 4.096 4.120 -0.000 0.000 0.263 216 V C 1.526 177.686 176.094 0.110 0.000 1.066 216 V CA -0.143 62.253 62.300 0.160 0.000 0.857 216 V CB 0.694 32.602 31.823 0.142 0.000 1.099 216 V HN 0.862 nan 8.190 nan 0.000 0.476 217 S N 2.865 118.625 115.700 0.100 0.000 2.423 217 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 217 S C 1.820 176.444 174.600 0.041 0.000 1.014 217 S CA 1.309 59.541 58.200 0.054 0.000 0.965 217 S CB -0.240 62.980 63.200 0.035 0.000 0.785 217 S HN 0.838 nan 8.310 nan 0.000 0.495 218 S N 1.213 116.935 115.700 0.037 0.000 2.603 218 S HA 0.075 4.545 4.470 -0.000 0.000 0.220 218 S C 0.714 175.324 174.600 0.018 0.000 0.967 218 S CA -0.409 57.803 58.200 0.021 0.000 0.920 218 S CB -0.741 62.462 63.200 0.005 0.000 0.773 218 S HN 0.875 nan 8.310 nan 0.000 0.529 219 Q N 0.966 120.788 119.800 0.037 0.000 2.368 219 Q HA 0.557 4.897 4.340 -0.000 0.000 0.237 219 Q C -0.616 175.436 176.000 0.086 0.000 0.987 219 Q CA -0.487 55.351 55.803 0.059 0.000 0.896 219 Q CB 0.783 29.590 28.738 0.113 0.000 1.241 219 Q HN 0.113 nan 8.270 nan 0.000 0.485 220 S N 2.059 117.834 115.700 0.125 0.000 2.672 220 S HA 0.548 5.018 4.470 -0.000 0.000 0.291 220 S C -1.514 173.240 174.600 0.256 0.000 1.145 220 S CA -0.712 57.607 58.200 0.198 0.000 1.013 220 S CB 0.839 64.157 63.200 0.196 0.000 1.017 220 S HN 0.535 nan 8.310 nan 0.000 0.487 221 L N 3.672 124.968 121.223 0.121 0.000 2.330 221 L HA 0.627 4.967 4.340 -0.000 0.000 0.271 221 L C 0.870 177.444 176.870 -0.494 0.000 1.013 221 L CA -0.133 54.648 54.840 -0.098 0.000 0.816 221 L CB 1.992 44.028 42.059 -0.039 0.000 1.287 221 L HN 0.829 nan 8.230 nan 0.000 0.435 222 S N 0.457 115.618 115.700 -0.899 0.000 2.625 222 S HA 0.573 5.043 4.470 -0.000 0.000 0.258 222 S C -0.294 173.938 174.600 -0.614 0.000 1.256 222 S CA -0.384 57.078 58.200 -1.229 0.000 0.983 222 S CB 0.230 62.930 63.200 -0.834 0.000 1.032 222 S HN 0.215 nan 8.310 nan 0.000 0.572 223 F N -0.375 119.594 119.950 0.033 0.000 2.538 223 F HA 0.490 5.017 4.527 -0.000 0.000 0.325 223 F C 0.693 176.213 175.800 -0.467 0.000 1.066 223 F CA -1.174 56.809 58.000 -0.028 0.000 0.946 223 F CB 0.939 39.935 39.000 -0.007 0.000 1.199 223 F HN 0.484 nan 8.300 nan 0.000 0.473 224 D N 0.350 120.155 120.400 -0.991 0.000 2.377 224 D HA 0.403 5.043 4.640 -0.000 0.000 0.245 224 D C -0.736 175.204 176.300 -0.601 0.000 1.196 224 D CA 0.316 53.612 54.000 -1.174 0.000 0.962 224 D CB 1.577 41.258 40.800 -1.865 0.000 1.127 224 D HN 0.473 nan 8.370 nan 0.000 0.471 225 S N -1.291 114.164 115.700 -0.408 0.000 2.570 225 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 225 S C -0.013 174.574 174.600 -0.022 0.000 1.149 225 S CA -0.176 57.886 58.200 -0.230 0.000 0.837 225 S CB 0.987 64.015 63.200 -0.287 0.000 1.124 225 S HN 0.367 nan 8.310 nan 0.000 0.465 226 S N 1.994 117.704 115.700 0.016 0.000 2.539 226 S HA 0.236 4.706 4.470 -0.000 0.000 0.221 226 S C 0.225 174.870 174.600 0.074 0.000 0.987 226 S CA -0.289 57.997 58.200 0.144 0.000 0.929 226 S CB -0.387 62.841 63.200 0.047 0.000 0.832 226 S HN 0.594 nan 8.310 nan 0.000 0.492 227 N N 3.617 122.302 118.700 -0.025 0.000 2.420 227 N HA 0.288 5.028 4.740 -0.000 0.000 0.262 227 N C -2.045 173.079 175.510 -0.642 0.000 1.144 227 N CA -2.076 50.876 53.050 -0.164 0.000 0.952 227 N CB 1.384 39.904 38.487 0.056 0.000 1.081 227 N HN 0.040 nan 8.380 nan 0.000 0.480 228 P HA -0.033 nan 4.420 nan 0.000 0.230 228 P C 0.522 177.050 177.300 -1.287 0.000 1.158 228 P CA 0.842 62.903 63.100 -1.731 0.000 0.769 228 P CB 0.354 31.540 31.700 -0.858 0.000 0.807 229 E N -1.207 118.474 120.200 -0.866 0.000 2.209 229 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 229 E C 1.158 177.046 176.600 -1.187 0.000 0.993 229 E CA 1.065 56.820 56.400 -1.076 0.000 0.819 229 E CB -0.428 28.789 29.700 -0.804 0.000 0.745 229 E HN 0.409 nan 8.360 nan 0.000 0.477 230 Y N -0.676 119.281 120.300 -0.572 0.000 2.523 230 Y HA 0.072 4.622 4.550 -0.000 0.000 0.279 230 Y C 0.568 176.433 175.900 -0.058 0.000 1.139 230 Y CA -0.073 57.919 58.100 -0.181 0.000 1.296 230 Y CB 0.263 38.741 38.460 0.030 0.000 1.045 230 Y HN -0.107 nan 8.280 nan 0.000 0.538 231 F N 2.094 121.879 119.950 -0.275 0.000 2.529 231 F HA -0.048 4.479 4.527 -0.000 0.000 0.365 231 F C 0.645 176.277 175.800 -0.280 0.000 1.102 231 F CA -0.306 57.568 58.000 -0.211 0.000 1.271 231 F CB 0.368 39.222 39.000 -0.243 0.000 1.120 231 F HN 0.265 nan 8.300 nan 0.000 0.579 232 D N 1.982 122.403 120.400 0.035 0.000 2.837 232 D HA -0.178 4.462 4.640 -0.000 0.000 0.230 232 D C 1.229 177.211 176.300 -0.529 0.000 1.152 232 D CA 0.771 54.638 54.000 -0.222 0.000 0.736 232 D CB -1.353 39.306 40.800 -0.233 0.000 1.084 232 D HN 0.883 nan 8.370 nan 0.000 0.429 233 G N -0.492 108.188 108.800 -0.199 0.000 2.623 233 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.214 233 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.214 233 G C 0.514 175.445 174.900 0.053 0.000 1.138 233 G CA 0.048 45.108 45.100 -0.065 0.000 0.794 233 G HN 0.347 nan 8.290 nan 0.000 0.535 234 Y N -2.540 117.911 120.300 0.252 0.000 3.305 234 Y HA -0.163 4.387 4.550 -0.000 0.000 0.212 234 Y C 0.522 176.575 175.900 0.255 0.000 1.248 234 Y CA -0.570 57.664 58.100 0.225 0.000 1.359 234 Y CB -2.569 36.030 38.460 0.231 0.000 1.407 234 Y HN 0.456 nan 8.280 nan 0.000 0.572 235 W N 1.736 123.175 121.300 0.232 0.000 2.591 235 W HA 0.412 5.072 4.660 -0.000 0.000 0.330 235 W C 1.161 177.738 176.519 0.097 0.000 1.435 235 W CA 1.826 59.274 57.345 0.171 0.000 1.350 235 W CB 0.240 29.832 29.460 0.220 0.000 1.434 235 W HN 0.633 nan 8.180 nan 0.000 0.553 236 G N 3.955 112.701 108.800 -0.089 0.000 2.192 236 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.193 236 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.193 236 G C 0.537 175.411 174.900 -0.043 0.000 0.999 236 G CA 0.065 45.082 45.100 -0.138 0.000 0.659 236 G HN 0.625 nan 8.290 nan 0.000 0.503 237 Y N 2.319 122.557 120.300 -0.104 0.000 2.207 237 Y HA 0.125 4.675 4.550 -0.000 0.000 0.287 237 Y C 1.740 177.685 175.900 0.076 0.000 1.156 237 Y CA 2.460 60.530 58.100 -0.050 0.000 1.182 237 Y CB 0.179 38.669 38.460 0.049 0.000 0.979 237 Y HN 0.678 nan 8.280 nan 0.000 0.521 238 S N -1.182 114.614 115.700 0.159 0.000 2.569 238 S HA 0.664 5.134 4.470 -0.000 0.000 0.280 238 S C -1.294 173.258 174.600 -0.079 0.000 1.111 238 S CA -0.687 57.535 58.200 0.036 0.000 0.887 238 S CB 2.043 65.259 63.200 0.027 0.000 1.095 238 S HN 0.033 nan 8.310 nan 0.000 0.476 239 V N 0.206 120.063 119.914 -0.095 0.000 3.087 239 V HA 0.957 5.076 4.120 -0.000 0.000 0.306 239 V C -0.956 175.077 176.094 -0.102 0.000 1.187 239 V CA 0.088 62.305 62.300 -0.138 0.000 0.999 239 V CB 1.832 33.550 31.823 -0.175 0.000 1.049 239 V HN 1.790 nan 8.190 nan 0.000 0.431 240 A N 3.541 126.309 122.820 -0.086 0.000 2.599 240 A HA 0.945 5.265 4.320 -0.000 0.000 0.290 240 A C -1.145 176.451 177.584 0.019 0.000 1.101 240 A CA 0.027 52.041 52.037 -0.038 0.000 0.674 240 A CB 1.839 20.824 19.000 -0.026 0.000 1.277 240 A HN 2.047 nan 8.150 nan 0.000 0.419 241 V N -1.921 118.026 119.914 0.056 0.000 3.001 241 V HA 1.068 5.188 4.120 -0.000 0.000 0.314 241 V C 0.114 176.301 176.094 0.154 0.000 1.099 241 V CA 0.212 62.602 62.300 0.149 0.000 0.989 241 V CB 1.279 33.184 31.823 0.136 0.000 1.040 241 V HN 2.367 nan 8.190 nan 0.000 0.434 242 G N 1.423 110.379 108.800 0.260 0.000 2.489 242 G HA2 0.561 4.521 3.960 -0.000 0.000 0.305 242 G HA3 0.561 4.521 3.960 -0.000 0.000 0.305 242 G C -1.864 173.196 174.900 0.266 0.000 1.311 242 G CA -0.366 44.878 45.100 0.240 0.000 0.813 242 G HN 1.065 nan 8.290 nan 0.000 0.480 243 E N -0.373 119.901 120.200 0.124 0.000 2.141 243 E HA 0.689 5.039 4.350 -0.000 0.000 0.259 243 E C -1.097 175.283 176.600 -0.365 0.000 0.883 243 E CA -0.738 55.619 56.400 -0.073 0.000 0.744 243 E CB 0.777 30.376 29.700 -0.168 0.000 1.150 243 E HN 0.263 nan 8.360 nan 0.000 0.420 244 F N 1.848 121.856 119.950 0.097 0.000 2.856 244 F HA 0.174 4.701 4.527 -0.000 0.000 0.338 244 F C 1.018 176.877 175.800 0.099 0.000 1.100 244 F CA -0.183 57.884 58.000 0.112 0.000 1.150 244 F CB 0.923 40.013 39.000 0.151 0.000 1.101 244 F HN 0.446 nan 8.300 nan 0.000 0.548 245 D N -1.162 119.344 120.400 0.177 0.000 2.433 245 D HA 0.239 4.879 4.640 -0.000 0.000 0.211 245 D C 1.844 178.170 176.300 0.044 0.000 1.114 245 D CA 0.837 54.899 54.000 0.104 0.000 0.837 245 D CB 0.314 41.156 40.800 0.071 0.000 0.984 245 D HN 0.239 nan 8.370 nan 0.000 0.505 246 G N 0.778 109.587 108.800 0.015 0.000 2.199 246 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 246 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 246 G C -0.185 174.703 174.900 -0.020 0.000 0.982 246 G CA 0.241 45.331 45.100 -0.017 0.000 0.632 246 G HN 0.572 nan 8.290 nan 0.000 0.529 247 D N 0.787 121.182 120.400 -0.008 0.000 2.412 247 D HA 0.489 5.129 4.640 -0.000 0.000 0.224 247 D C 1.735 178.028 176.300 -0.013 0.000 1.093 247 D CA -0.684 53.311 54.000 -0.008 0.000 0.850 247 D CB 0.320 41.121 40.800 0.002 0.000 1.046 247 D HN 0.162 nan 8.370 nan 0.000 0.507 248 L N 2.925 124.135 121.223 -0.021 0.000 2.549 248 L HA -0.021 4.319 4.340 -0.000 0.000 0.229 248 L C 1.197 178.060 176.870 -0.012 0.000 1.158 248 L CA 0.352 55.177 54.840 -0.025 0.000 0.842 248 L CB -0.213 41.827 42.059 -0.032 0.000 0.952 248 L HN 0.291 nan 8.230 nan 0.000 0.452 249 N N -0.191 118.505 118.700 -0.008 0.000 2.322 249 N HA 0.017 4.757 4.740 -0.000 0.000 0.194 249 N C 0.378 175.883 175.510 -0.008 0.000 1.126 249 N CA 0.319 53.366 53.050 -0.004 0.000 0.845 249 N CB 0.328 38.816 38.487 0.001 0.000 0.976 249 N HN 0.319 nan 8.380 nan 0.000 0.475 250 T N -2.339 112.208 114.554 -0.012 0.000 2.861 250 T HA 0.463 4.813 4.350 -0.000 0.000 0.287 250 T C -0.135 174.546 174.700 -0.031 0.000 1.003 250 T CA -0.664 61.416 62.100 -0.033 0.000 0.977 250 T CB 2.129 70.983 68.868 -0.023 0.000 0.996 250 T HN -0.219 nan 8.240 nan 0.000 0.448 251 T N 3.266 117.784 114.554 -0.060 0.000 2.837 251 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 251 T C -0.257 174.365 174.700 -0.130 0.000 0.984 251 T CA -0.584 61.502 62.100 -0.024 0.000 1.049 251 T CB 1.166 70.058 68.868 0.040 0.000 0.947 251 T HN 0.665 nan 8.240 nan 0.000 0.472 252 E N 1.220 121.424 120.200 0.006 0.000 2.222 252 E HA 0.497 4.847 4.350 -0.000 0.000 0.272 252 E C -1.073 175.616 176.600 0.148 0.000 0.982 252 E CA -0.582 55.805 56.400 -0.020 0.000 0.842 252 E CB 0.758 30.575 29.700 0.197 0.000 1.144 252 E HN 0.441 nan 8.360 nan 0.000 0.397 253 Y N 0.125 120.451 120.300 0.044 0.000 2.387 253 Y HA 0.522 5.071 4.550 -0.000 0.000 0.336 253 Y C -0.204 175.671 175.900 -0.043 0.000 1.067 253 Y CA -1.361 56.740 58.100 0.001 0.000 1.114 253 Y CB 1.130 39.587 38.460 -0.004 0.000 1.208 253 Y HN 0.145 nan 8.280 nan 0.000 0.458 254 V N 3.815 123.776 119.914 0.077 0.000 2.448 254 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 254 V C -0.710 175.293 176.094 -0.151 0.000 1.025 254 V CA -0.852 61.401 62.300 -0.079 0.000 0.859 254 V CB 1.786 33.547 31.823 -0.102 0.000 0.988 254 V HN 0.508 nan 8.190 nan 0.000 0.431 255 V N 3.537 123.303 119.914 -0.247 0.000 2.525 255 V HA 0.679 4.799 4.120 -0.000 0.000 0.299 255 V C 0.572 176.444 176.094 -0.370 0.000 1.034 255 V CA -0.476 61.566 62.300 -0.429 0.000 0.863 255 V CB 1.980 33.277 31.823 -0.877 0.000 0.999 255 V HN 0.943 nan 8.190 nan 0.000 0.423 256 G N 3.018 111.661 108.800 -0.263 0.000 2.372 256 G HA2 0.590 4.550 3.960 -0.000 0.000 0.283 256 G HA3 0.590 4.550 3.960 -0.000 0.000 0.283 256 G C -0.057 174.786 174.900 -0.095 0.000 1.177 256 G CA 0.051 45.057 45.100 -0.155 0.000 0.842 256 G HN 1.186 nan 8.290 nan 0.000 0.503 257 A N 4.602 127.414 122.820 -0.012 0.000 3.030 257 A HA 0.638 4.958 4.320 -0.000 0.000 0.335 257 A C -1.497 176.134 177.584 0.077 0.000 1.089 257 A CA -1.113 51.008 52.037 0.139 0.000 0.807 257 A CB 1.432 20.629 19.000 0.328 0.000 1.099 257 A HN 0.450 nan 8.150 nan 0.000 0.474 258 P HA -0.075 nan 4.420 nan 0.000 0.230 258 P C 0.962 178.030 177.300 -0.386 0.000 1.158 258 P CA 1.538 64.430 63.100 -0.346 0.000 0.769 258 P CB 0.010 31.190 31.700 -0.867 0.000 0.807 259 T N -7.144 107.276 114.554 -0.223 0.000 3.132 259 T HA 0.119 4.468 4.350 -0.000 0.000 0.274 259 T C 0.063 174.702 174.700 -0.101 0.000 1.011 259 T CA -0.739 61.251 62.100 -0.182 0.000 0.899 259 T CB -0.838 67.872 68.868 -0.263 0.000 1.089 259 T HN -0.056 nan 8.240 nan 0.000 0.543 260 W N 2.642 123.837 121.300 -0.175 0.000 2.293 260 W HA 0.342 5.002 4.660 -0.000 0.000 0.342 260 W C 0.770 177.170 176.519 -0.199 0.000 1.274 260 W CA 1.267 58.492 57.345 -0.201 0.000 1.290 260 W CB 0.169 29.540 29.460 -0.148 0.000 1.176 260 W HN 0.313 nan 8.180 nan 0.000 0.570 261 S N 6.424 121.424 115.700 -1.167 0.000 3.527 261 S HA -0.239 4.230 4.470 -0.000 0.000 0.409 261 S C 0.044 174.526 174.600 -0.196 0.000 0.900 261 S CA 0.804 58.440 58.200 -0.939 0.000 1.320 261 S CB -1.538 61.006 63.200 -1.093 0.000 0.915 261 S HN 0.950 nan 8.310 nan 0.000 0.575 262 W N -0.209 120.902 121.300 -0.316 0.000 5.563 262 W HA -0.337 4.323 4.660 -0.000 0.000 0.396 262 W C 1.239 177.695 176.519 -0.106 0.000 1.519 262 W CA 1.444 58.683 57.345 -0.178 0.000 0.953 262 W CB -3.017 26.343 29.460 -0.166 0.000 2.691 262 W HN 1.753 nan 8.180 nan 0.000 1.444 263 T N -4.733 109.827 114.554 0.009 0.000 5.383 263 T HA -0.371 3.979 4.350 -0.000 0.000 0.279 263 T C 0.798 175.546 174.700 0.080 0.000 1.930 263 T CA 1.340 63.465 62.100 0.041 0.000 3.248 263 T CB -1.664 67.259 68.868 0.091 0.000 1.367 263 T HN 0.287 nan 8.240 nan 0.000 1.030 264 L N 1.666 122.940 121.223 0.086 0.000 2.056 264 L HA 0.472 4.812 4.340 -0.000 0.000 0.207 264 L C 1.625 178.567 176.870 0.121 0.000 1.078 264 L CA 2.911 57.812 54.840 0.103 0.000 0.749 264 L CB -0.906 41.222 42.059 0.115 0.000 0.901 264 L HN 1.667 nan 8.230 nan 0.000 0.433 265 G N -1.714 107.199 108.800 0.189 0.000 2.692 265 G HA2 0.375 4.335 3.960 -0.000 0.000 0.686 265 G HA3 0.375 4.335 3.960 -0.000 0.000 0.686 265 G C -0.717 174.344 174.900 0.269 0.000 1.243 265 G CA -0.330 44.904 45.100 0.224 0.000 0.782 265 G HN 1.016 nan 8.290 nan 0.000 0.625 266 A N -0.105 122.856 122.820 0.236 0.000 2.610 266 A HA 0.996 5.316 4.320 -0.000 0.000 0.291 266 A C -0.780 176.835 177.584 0.051 0.000 1.086 266 A CA 0.000 52.058 52.037 0.034 0.000 0.677 266 A CB 2.024 20.662 19.000 -0.603 0.000 1.278 266 A HN 2.142 nan 8.150 nan 0.000 0.414 267 V N 0.911 120.824 119.914 -0.002 0.000 2.709 267 V HA 0.557 4.677 4.120 -0.000 0.000 0.308 267 V C -0.497 175.501 176.094 -0.159 0.000 1.062 267 V CA -0.451 61.778 62.300 -0.119 0.000 0.901 267 V CB 1.842 33.561 31.823 -0.174 0.000 1.003 267 V HN 0.946 nan 8.190 nan 0.000 0.425 268 E N 3.691 123.813 120.200 -0.130 0.000 2.256 268 E HA 0.637 4.987 4.350 -0.000 0.000 0.267 268 E C -1.364 175.199 176.600 -0.063 0.000 0.892 268 E CA -0.757 55.614 56.400 -0.048 0.000 0.775 268 E CB 3.078 32.867 29.700 0.149 0.000 1.207 268 E HN 0.501 nan 8.360 nan 0.000 0.420 269 I N 3.326 123.874 120.570 -0.035 0.000 2.362 269 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 269 I C -1.156 174.988 176.117 0.045 0.000 0.994 269 I CA -0.766 60.501 61.300 -0.056 0.000 1.158 269 I CB 0.699 38.610 38.000 -0.149 0.000 1.315 269 I HN 0.159 nan 8.210 nan 0.000 0.451 270 L N 5.190 126.461 121.223 0.079 0.000 2.323 270 L HA 0.488 4.827 4.340 -0.000 0.000 0.265 270 L C -0.158 176.695 176.870 -0.029 0.000 1.012 270 L CA -0.795 54.108 54.840 0.105 0.000 0.820 270 L CB 1.278 43.495 42.059 0.264 0.000 1.334 270 L HN 0.538 nan 8.230 nan 0.000 0.427 271 D N -0.920 119.453 120.400 -0.046 0.000 2.414 271 D HA 0.118 4.758 4.640 -0.000 0.000 0.251 271 D C 0.942 176.975 176.300 -0.445 0.000 1.252 271 D CA 0.060 53.961 54.000 -0.166 0.000 0.999 271 D CB 0.360 41.153 40.800 -0.012 0.000 1.093 271 D HN 0.484 nan 8.370 nan 0.000 0.515 272 S N -1.678 113.658 115.700 -0.606 0.000 2.561 272 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 272 S C 1.063 175.137 174.600 -0.877 0.000 0.977 272 S CA 0.107 57.736 58.200 -0.953 0.000 0.926 272 S CB -0.798 61.938 63.200 -0.773 0.000 0.769 272 S HN 0.527 nan 8.310 nan 0.000 0.533 273 Y N -0.036 120.067 120.300 -0.328 0.000 2.468 273 Y HA 0.322 4.872 4.550 -0.000 0.000 0.268 273 Y C -0.170 175.772 175.900 0.070 0.000 1.177 273 Y CA -0.737 57.285 58.100 -0.131 0.000 1.265 273 Y CB -0.436 38.040 38.460 0.026 0.000 1.103 273 Y HN 0.197 nan 8.280 nan 0.000 0.522 274 Y N -1.560 118.888 120.300 0.247 0.000 4.644 274 Y HA -0.259 4.291 4.550 -0.000 0.000 0.241 274 Y C -0.008 176.086 175.900 0.322 0.000 1.077 274 Y CA -0.528 57.748 58.100 0.294 0.000 2.080 274 Y CB -2.350 36.230 38.460 0.200 0.000 1.613 274 Y HN 0.143 nan 8.280 nan 0.000 0.686 275 Q N 1.094 121.096 119.800 0.337 0.000 2.267 275 Q HA 0.326 4.666 4.340 -0.000 0.000 0.255 275 Q C 0.597 176.702 176.000 0.175 0.000 0.923 275 Q CA -0.502 55.443 55.803 0.237 0.000 0.925 275 Q CB 1.279 30.114 28.738 0.161 0.000 1.195 275 Q HN 0.348 nan 8.270 nan 0.000 0.417 276 R N 3.205 123.799 120.500 0.157 0.000 2.347 276 R HA 0.138 4.478 4.340 -0.000 0.000 0.304 276 R C 0.662 176.982 176.300 0.034 0.000 1.072 276 R CA 0.094 56.269 56.100 0.125 0.000 0.980 276 R CB 0.286 30.666 30.300 0.134 0.000 0.986 276 R HN 0.640 nan 8.270 nan 0.000 0.448 277 L N 3.223 124.433 121.223 -0.021 0.000 2.316 277 L HA 0.199 4.539 4.340 -0.000 0.000 0.207 277 L C 0.519 177.163 176.870 -0.376 0.000 1.070 277 L CA 0.308 55.036 54.840 -0.187 0.000 0.820 277 L CB 0.028 41.969 42.059 -0.198 0.000 0.992 277 L HN 0.582 nan 8.230 nan 0.000 0.466 278 H N -0.356 118.694 119.070 -0.033 0.000 2.961 278 H HA 0.501 5.056 4.556 -0.000 0.000 0.371 278 H C -1.183 174.082 175.328 -0.105 0.000 1.190 278 H CA -0.652 55.350 56.048 -0.076 0.000 1.138 278 H CB 2.749 32.427 29.762 -0.141 0.000 1.816 278 H HN -0.095 nan 8.280 nan 0.000 0.551 279 R N 2.229 122.734 120.500 0.008 0.000 2.538 279 R HA 0.449 4.789 4.340 -0.000 0.000 0.292 279 R C -1.613 174.590 176.300 -0.161 0.000 1.008 279 R CA -0.691 55.338 56.100 -0.118 0.000 0.896 279 R CB 1.212 31.407 30.300 -0.175 0.000 1.187 279 R HN 0.445 nan 8.270 nan 0.000 0.440 280 L N 4.592 125.685 121.223 -0.215 0.000 2.313 280 L HA 0.596 4.936 4.340 -0.000 0.000 0.283 280 L C 0.050 176.805 176.870 -0.191 0.000 1.013 280 L CA -0.805 53.904 54.840 -0.218 0.000 0.816 280 L CB 1.810 43.659 42.059 -0.350 0.000 1.236 280 L HN 0.492 nan 8.230 nan 0.000 0.419 281 R N 1.125 121.462 120.500 -0.271 0.000 2.486 281 R HA 0.575 4.915 4.340 -0.000 0.000 0.286 281 R C 0.407 176.219 176.300 -0.813 0.000 0.999 281 R CA -0.654 55.246 56.100 -0.333 0.000 0.993 281 R CB 1.208 31.435 30.300 -0.122 0.000 1.084 281 R HN 0.777 nan 8.270 nan 0.000 0.487 282 G N 0.106 108.401 108.800 -0.842 0.000 2.636 282 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.246 282 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.246 282 G C 0.142 174.742 174.900 -0.500 0.000 1.216 282 G CA -0.240 44.200 45.100 -1.101 0.000 0.854 282 G HN 0.810 nan 8.290 nan 0.000 0.572 283 E N -1.183 118.837 120.200 -0.299 0.000 2.251 283 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 283 E C 0.756 177.431 176.600 0.125 0.000 0.964 283 E CA 0.188 56.578 56.400 -0.016 0.000 0.868 283 E CB 0.195 29.981 29.700 0.144 0.000 0.828 283 E HN 0.492 nan 8.360 nan 0.000 0.481 284 Q N 0.737 120.648 119.800 0.185 0.000 2.271 284 Q HA 0.283 4.623 4.340 -0.000 0.000 0.268 284 Q C -1.229 174.866 176.000 0.158 0.000 1.021 284 Q CA -0.527 55.389 55.803 0.188 0.000 0.802 284 Q CB 1.631 30.521 28.738 0.253 0.000 1.282 284 Q HN 0.080 nan 8.270 nan 0.000 0.431 285 M N 2.429 122.095 119.600 0.111 0.000 2.249 285 M HA 0.186 4.666 4.480 -0.000 0.000 0.340 285 M C 0.946 177.330 176.300 0.140 0.000 1.166 285 M CA 1.459 56.827 55.300 0.113 0.000 1.115 285 M CB 0.591 33.243 32.600 0.087 0.000 1.606 285 M HN 1.007 nan 8.290 nan 0.000 0.448 286 A N 0.631 123.553 122.820 0.169 0.000 3.396 286 A HA -0.209 4.111 4.320 -0.000 0.000 0.267 286 A C 1.563 179.319 177.584 0.286 0.000 1.139 286 A CA 1.354 53.524 52.037 0.222 0.000 1.115 286 A CB -2.550 16.552 19.000 0.169 0.000 1.133 286 A HN 1.027 nan 8.150 nan 0.000 0.920 287 S N -2.374 113.499 115.700 0.289 0.000 2.481 287 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 287 S C 0.787 175.651 174.600 0.441 0.000 0.996 287 S CA 1.385 59.801 58.200 0.360 0.000 0.942 287 S CB -0.419 63.051 63.200 0.449 0.000 0.768 287 S HN 1.725 nan 8.310 nan 0.000 0.520 288 Y N -0.411 120.028 120.300 0.230 0.000 3.790 288 Y HA -0.209 4.341 4.550 -0.000 0.000 0.226 288 Y C 0.013 176.054 175.900 0.236 0.000 1.257 288 Y CA 0.023 58.238 58.100 0.192 0.000 1.765 288 Y CB -2.486 36.059 38.460 0.142 0.000 1.552 288 Y HN 0.546 nan 8.280 nan 0.000 0.650 289 F N 1.255 121.283 119.950 0.130 0.000 2.571 289 F HA 0.349 4.876 4.527 -0.000 0.000 0.390 289 F C 1.298 177.103 175.800 0.008 0.000 1.043 289 F CA 1.876 59.928 58.000 0.085 0.000 1.164 289 F CB 0.324 39.331 39.000 0.012 0.000 1.049 289 F HN 0.389 nan 8.300 nan 0.000 0.552 290 G N 4.186 112.829 108.800 -0.261 0.000 2.184 290 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.206 290 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.206 290 G C 1.301 176.183 174.900 -0.030 0.000 0.995 290 G CA 0.191 45.183 45.100 -0.179 0.000 0.651 290 G HN 0.795 nan 8.290 nan 0.000 0.511 291 H N 1.436 120.496 119.070 -0.018 0.000 2.353 291 H HA 0.018 4.573 4.556 -0.000 0.000 0.298 291 H C 1.316 176.721 175.328 0.129 0.000 1.103 291 H CA 2.435 58.556 56.048 0.120 0.000 1.293 291 H CB 0.106 30.001 29.762 0.222 0.000 1.372 291 H HN 0.817 nan 8.280 nan 0.000 0.501 292 S N 0.109 115.894 115.700 0.143 0.000 2.549 292 S HA 0.558 5.028 4.470 -0.000 0.000 0.280 292 S C -0.682 173.893 174.600 -0.043 0.000 1.109 292 S CA -0.307 57.916 58.200 0.038 0.000 0.905 292 S CB 2.517 65.765 63.200 0.081 0.000 1.081 292 S HN 0.268 nan 8.310 nan 0.000 0.477 293 V N -1.121 118.757 119.914 -0.060 0.000 2.841 293 V HA 1.038 5.158 4.120 -0.000 0.000 0.310 293 V C -0.348 175.717 176.094 -0.048 0.000 1.090 293 V CA -0.692 61.563 62.300 -0.075 0.000 0.930 293 V CB 0.929 32.691 31.823 -0.103 0.000 1.014 293 V HN 1.653 nan 8.190 nan 0.000 0.425 294 A N 3.029 125.833 122.820 -0.027 0.000 2.475 294 A HA 0.933 5.253 4.320 -0.000 0.000 0.301 294 A C -1.168 176.425 177.584 0.016 0.000 1.059 294 A CA -0.731 51.298 52.037 -0.012 0.000 0.710 294 A CB 2.270 21.263 19.000 -0.012 0.000 1.288 294 A HN 1.507 nan 8.150 nan 0.000 0.408 295 V N 1.307 121.218 119.914 -0.006 0.000 2.444 295 V HA 0.838 4.958 4.120 -0.000 0.000 0.294 295 V C -0.091 175.926 176.094 -0.128 0.000 1.022 295 V CA -0.059 62.226 62.300 -0.024 0.000 0.850 295 V CB 1.420 33.212 31.823 -0.051 0.000 0.992 295 V HN 1.150 nan 8.190 nan 0.000 0.426 296 T N 2.420 116.941 114.554 -0.054 0.000 2.977 296 T HA 0.260 4.610 4.350 -0.000 0.000 0.345 296 T C -1.900 172.870 174.700 0.117 0.000 1.562 296 T CA -0.582 61.521 62.100 0.004 0.000 1.090 296 T CB 1.707 70.593 68.868 0.030 0.000 1.383 296 T HN 0.771 nan 8.240 nan 0.000 0.484 297 D N 2.556 123.070 120.400 0.189 0.000 2.352 297 D HA 0.302 4.942 4.640 -0.000 0.000 0.245 297 D C 1.482 177.860 176.300 0.129 0.000 1.224 297 D CA -0.103 53.988 54.000 0.151 0.000 0.879 297 D CB 0.892 41.761 40.800 0.116 0.000 1.057 297 D HN 0.403 nan 8.370 nan 0.000 0.491 298 V N 1.901 121.891 119.914 0.126 0.000 3.590 298 V HA 0.142 4.262 4.120 -0.000 0.000 0.265 298 V C 0.986 177.185 176.094 0.174 0.000 1.239 298 V CA 0.573 62.952 62.300 0.132 0.000 1.117 298 V CB -0.443 31.435 31.823 0.092 0.000 0.818 298 V HN 0.608 nan 8.190 nan 0.000 0.451 299 N N 0.597 119.405 118.700 0.180 0.000 2.200 299 N HA 0.230 4.970 4.740 -0.000 0.000 0.224 299 N C 1.267 176.987 175.510 0.349 0.000 1.179 299 N CA 0.482 53.661 53.050 0.214 0.000 0.877 299 N CB 0.686 39.228 38.487 0.091 0.000 1.072 299 N HN 0.818 nan 8.380 nan 0.000 0.519 300 G N 1.964 110.923 108.800 0.266 0.000 2.160 300 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 300 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 300 G C 0.059 174.992 174.900 0.055 0.000 1.008 300 G CA 0.589 45.752 45.100 0.106 0.000 0.724 300 G HN 0.640 nan 8.290 nan 0.000 0.514 301 D N -1.387 119.049 120.400 0.060 0.000 2.398 301 D HA 0.402 5.042 4.640 -0.000 0.000 0.210 301 D C 1.788 178.080 176.300 -0.014 0.000 1.094 301 D CA 0.582 54.597 54.000 0.026 0.000 0.839 301 D CB -0.337 40.487 40.800 0.040 0.000 0.963 301 D HN 1.451 nan 8.370 nan 0.000 0.506 302 G N 0.486 109.268 108.800 -0.030 0.000 2.176 302 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.253 302 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.253 302 G C 0.168 174.985 174.900 -0.138 0.000 0.979 302 G CA -0.114 44.938 45.100 -0.080 0.000 0.641 302 G HN 0.440 nan 8.290 nan 0.000 0.530 303 R N 0.479 120.921 120.500 -0.095 0.000 2.255 303 R HA 0.445 4.785 4.340 -0.000 0.000 0.326 303 R C -0.091 176.161 176.300 -0.080 0.000 0.986 303 R CA -0.758 55.262 56.100 -0.132 0.000 0.847 303 R CB 0.753 31.016 30.300 -0.061 0.000 1.111 303 R HN 0.539 nan 8.270 nan 0.000 0.452 304 H N 1.590 120.526 119.070 -0.223 0.000 3.001 304 H HA -0.021 4.535 4.556 -0.000 0.000 0.334 304 H C -0.190 175.073 175.328 -0.108 0.000 1.034 304 H CA 0.209 56.108 56.048 -0.248 0.000 1.420 304 H CB 0.700 30.125 29.762 -0.562 0.000 1.405 304 H HN 0.429 nan 8.280 nan 0.000 0.593 305 D N 2.029 122.547 120.400 0.196 0.000 2.340 305 D HA 0.254 4.894 4.640 -0.000 0.000 0.243 305 D C -0.691 175.791 176.300 0.302 0.000 0.988 305 D CA -0.710 53.444 54.000 0.256 0.000 0.959 305 D CB 2.478 43.384 40.800 0.177 0.000 1.226 305 D HN 0.123 nan 8.370 nan 0.000 0.509 306 L N 0.828 122.238 121.223 0.312 0.000 2.341 306 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 306 L C -1.621 175.392 176.870 0.238 0.000 1.005 306 L CA -0.440 54.544 54.840 0.240 0.000 0.818 306 L CB 1.281 43.410 42.059 0.115 0.000 1.259 306 L HN 0.269 nan 8.230 nan 0.000 0.418 307 L N 5.503 126.810 121.223 0.140 0.000 2.346 307 L HA 0.754 5.094 4.340 -0.000 0.000 0.276 307 L C -0.935 175.969 176.870 0.058 0.000 1.006 307 L CA -0.694 54.212 54.840 0.109 0.000 0.817 307 L CB 2.109 44.189 42.059 0.035 0.000 1.272 307 L HN 0.347 nan 8.230 nan 0.000 0.421 308 V N 1.451 121.412 119.914 0.079 0.000 2.656 308 V HA 0.691 4.811 4.120 -0.000 0.000 0.307 308 V C 0.261 176.340 176.094 -0.026 0.000 1.051 308 V CA -0.635 61.612 62.300 -0.089 0.000 0.893 308 V CB 1.900 33.511 31.823 -0.353 0.000 0.999 308 V HN 0.819 nan 8.190 nan 0.000 0.426 309 G N 2.338 111.097 108.800 -0.069 0.000 2.356 309 G HA2 0.644 4.604 3.960 -0.000 0.000 0.322 309 G HA3 0.644 4.604 3.960 -0.000 0.000 0.322 309 G C -0.357 174.599 174.900 0.093 0.000 1.125 309 G CA -0.231 44.886 45.100 0.028 0.000 0.885 309 G HN 1.165 nan 8.290 nan 0.000 0.467 310 A N 4.307 127.275 122.820 0.246 0.000 2.842 310 A HA 0.660 4.980 4.320 -0.000 0.000 0.339 310 A C -1.502 176.274 177.584 0.320 0.000 1.177 310 A CA -1.256 51.001 52.037 0.367 0.000 0.797 310 A CB 1.502 20.882 19.000 0.633 0.000 1.094 310 A HN 0.437 nan 8.150 nan 0.000 0.474 311 P HA -0.065 nan 4.420 nan 0.000 0.226 311 P C 0.693 178.119 177.300 0.211 0.000 1.153 311 P CA 0.836 64.024 63.100 0.147 0.000 0.777 311 P CB 0.242 31.910 31.700 -0.054 0.000 0.794 312 L N -2.064 119.306 121.223 0.246 0.000 2.818 312 L HA 0.230 4.570 4.340 -0.000 0.000 0.243 312 L C 0.754 177.772 176.870 0.247 0.000 1.185 312 L CA -0.880 54.098 54.840 0.230 0.000 0.988 312 L CB -0.640 41.539 42.059 0.200 0.000 1.292 312 L HN -0.105 nan 8.230 nan 0.000 0.519 313 Y N 2.313 122.737 120.300 0.207 0.000 2.717 313 Y HA 0.052 4.602 4.550 -0.000 0.000 0.330 313 Y C 0.411 176.392 175.900 0.134 0.000 1.217 313 Y CA 0.294 58.509 58.100 0.193 0.000 1.506 313 Y CB 0.395 38.987 38.460 0.220 0.000 1.268 313 Y HN 0.060 nan 8.280 nan 0.000 0.561 314 M N 6.839 126.056 119.600 -0.637 0.000 2.080 314 M HA 0.187 4.667 4.480 -0.000 0.000 0.350 314 M C -0.320 175.608 176.300 -0.621 0.000 1.173 314 M CA -0.214 54.826 55.300 -0.433 0.000 1.052 314 M CB 1.054 33.504 32.600 -0.250 0.000 1.577 314 M HN 0.679 nan 8.290 nan 0.000 0.455 315 E N 1.901 121.978 120.200 -0.205 0.000 2.331 315 E HA 0.215 4.565 4.350 -0.000 0.000 0.272 315 E C -0.736 175.846 176.600 -0.030 0.000 1.036 315 E CA -0.254 56.150 56.400 0.006 0.000 0.864 315 E CB 1.081 30.846 29.700 0.107 0.000 1.035 315 E HN 0.556 nan 8.360 nan 0.000 0.408 316 S N 3.212 118.923 115.700 0.018 0.000 2.531 316 S HA 0.248 4.718 4.470 -0.000 0.000 0.279 316 S C -0.064 174.539 174.600 0.005 0.000 1.305 316 S CA -0.249 57.954 58.200 0.005 0.000 1.058 316 S CB 0.669 63.884 63.200 0.025 0.000 0.899 316 S HN 0.407 nan 8.310 nan 0.000 0.493 317 R N 0.769 121.265 120.500 -0.007 0.000 3.018 317 R HA 0.681 5.021 4.340 -0.000 0.000 0.243 317 R C -0.290 176.006 176.300 -0.006 0.000 1.315 317 R CA -1.076 55.019 56.100 -0.008 0.000 1.039 317 R CB 0.924 31.213 30.300 -0.018 0.000 1.315 317 R HN 0.642 nan 8.270 nan 0.000 0.492 318 A N 0.911 123.727 122.820 -0.007 0.000 2.531 318 A HA 0.096 4.416 4.320 -0.000 0.000 0.236 318 A C -0.002 177.579 177.584 -0.005 0.000 1.062 318 A CA 0.772 52.806 52.037 -0.005 0.000 0.760 318 A CB -0.181 18.817 19.000 -0.005 0.000 0.995 318 A HN 0.849 nan 8.150 nan 0.000 0.501 319 D N 0.066 120.464 120.400 -0.003 0.000 2.835 319 D HA -0.180 4.460 4.640 -0.000 0.000 0.230 319 D C 0.211 176.509 176.300 -0.003 0.000 1.130 319 D CA 1.371 55.370 54.000 -0.003 0.000 0.738 319 D CB -1.281 39.517 40.800 -0.003 0.000 1.090 319 D HN 0.839 nan 8.370 nan 0.000 0.433 320 R N -1.942 118.557 120.500 -0.003 0.000 3.525 320 R HA -0.221 4.119 4.340 -0.000 0.000 0.276 320 R C -0.251 176.044 176.300 -0.007 0.000 1.116 320 R CA 1.040 57.138 56.100 -0.003 0.000 0.745 320 R CB -1.281 29.018 30.300 -0.002 0.000 1.185 320 R HN 0.292 nan 8.270 nan 0.000 0.454 321 K N 0.914 121.308 120.400 -0.010 0.000 2.118 321 K HA 0.535 4.855 4.320 -0.000 0.000 0.254 321 K C 0.368 176.954 176.600 -0.025 0.000 0.961 321 K CA -0.677 55.601 56.287 -0.015 0.000 0.876 321 K CB 1.458 33.949 32.500 -0.015 0.000 1.077 321 K HN 0.018 nan 8.250 nan 0.000 0.440 322 L N 0.935 122.139 121.223 -0.033 0.000 2.346 322 L HA 0.597 4.937 4.340 -0.000 0.000 0.274 322 L C -0.459 176.374 176.870 -0.062 0.000 1.007 322 L CA -0.967 53.841 54.840 -0.054 0.000 0.818 322 L CB 2.012 44.035 42.059 -0.061 0.000 1.284 322 L HN 0.649 nan 8.230 nan 0.000 0.424 323 A N 2.033 124.805 122.820 -0.080 0.000 2.357 323 A HA 0.357 4.677 4.320 -0.000 0.000 0.295 323 A C -0.601 176.927 177.584 -0.092 0.000 1.121 323 A CA -0.512 51.466 52.037 -0.099 0.000 0.742 323 A CB 1.088 20.032 19.000 -0.093 0.000 1.181 323 A HN 0.726 nan 8.150 nan 0.000 0.454 324 E N 2.150 122.293 120.200 -0.096 0.000 2.220 324 E HA 0.275 4.625 4.350 -0.000 0.000 0.272 324 E C 0.420 177.023 176.600 0.005 0.000 1.099 324 E CA 0.355 56.751 56.400 -0.008 0.000 0.907 324 E CB 0.466 30.230 29.700 0.106 0.000 1.022 324 E HN 0.728 nan 8.360 nan 0.000 0.428 325 V N 1.194 121.160 119.914 0.087 0.000 3.332 325 V HA 0.434 4.554 4.120 -0.000 0.000 0.263 325 V C 0.613 176.843 176.094 0.225 0.000 1.562 325 V CA 0.238 62.607 62.300 0.115 0.000 1.040 325 V CB -0.037 31.818 31.823 0.054 0.000 0.857 325 V HN 0.815 nan 8.190 nan 0.000 0.428 326 G N 0.836 109.813 108.800 0.295 0.000 2.692 326 G HA2 0.085 4.045 3.960 -0.000 0.000 0.686 326 G HA3 0.085 4.045 3.960 -0.000 0.000 0.686 326 G C -0.722 174.417 174.900 0.399 0.000 1.243 326 G CA -0.121 45.203 45.100 0.374 0.000 0.782 326 G HN 0.909 nan 8.290 nan 0.000 0.625 327 R N -0.498 120.212 120.500 0.350 0.000 2.604 327 R HA 0.677 5.017 4.340 -0.000 0.000 0.270 327 R C -1.309 175.015 176.300 0.039 0.000 1.052 327 R CA -0.804 55.360 56.100 0.107 0.000 0.902 327 R CB 2.105 32.194 30.300 -0.351 0.000 1.233 327 R HN 0.872 nan 8.270 nan 0.000 0.455 328 V N 3.892 123.769 119.914 -0.062 0.000 2.555 328 V HA 0.516 4.636 4.120 -0.000 0.000 0.302 328 V C -1.331 174.590 176.094 -0.289 0.000 1.038 328 V CA -0.643 61.598 62.300 -0.097 0.000 0.887 328 V CB 1.750 33.507 31.823 -0.110 0.000 0.991 328 V HN 0.634 nan 8.190 nan 0.000 0.434 329 Y N 4.339 124.609 120.300 -0.049 0.000 2.341 329 Y HA 0.661 5.211 4.550 -0.000 0.000 0.338 329 Y C -0.246 175.548 175.900 -0.177 0.000 0.965 329 Y CA -0.767 57.259 58.100 -0.124 0.000 1.108 329 Y CB 1.803 40.302 38.460 0.065 0.000 1.180 329 Y HN 0.521 nan 8.280 nan 0.000 0.458 330 L N 4.675 125.781 121.223 -0.195 0.000 2.282 330 L HA 0.654 4.994 4.340 -0.000 0.000 0.288 330 L C -1.805 174.874 176.870 -0.318 0.000 1.033 330 L CA -0.620 54.142 54.840 -0.131 0.000 0.807 330 L CB 0.193 42.192 42.059 -0.100 0.000 1.209 330 L HN 0.398 nan 8.230 nan 0.000 0.423 331 F N 5.779 125.770 119.950 0.068 0.000 2.445 331 F HA 0.473 5.000 4.527 -0.000 0.000 0.348 331 F C -0.344 175.500 175.800 0.073 0.000 1.125 331 F CA -0.608 57.428 58.000 0.060 0.000 0.983 331 F CB 1.193 40.215 39.000 0.035 0.000 1.198 331 F HN 0.234 nan 8.300 nan 0.000 0.436 332 L N 3.269 124.608 121.223 0.194 0.000 2.331 332 L HA 0.292 4.632 4.340 -0.000 0.000 0.278 332 L C 0.370 177.343 176.870 0.172 0.000 1.106 332 L CA -0.429 54.505 54.840 0.158 0.000 0.824 332 L CB 0.995 43.114 42.059 0.099 0.000 1.142 332 L HN 0.620 nan 8.230 nan 0.000 0.443 333 Q N 5.704 125.607 119.800 0.172 0.000 2.296 333 Q HA 0.253 4.593 4.340 -0.000 0.000 0.262 333 Q C -2.241 173.825 176.000 0.111 0.000 0.981 333 Q CA -1.554 54.346 55.803 0.162 0.000 0.905 333 Q CB 1.177 30.015 28.738 0.165 0.000 1.186 333 Q HN 0.306 nan 8.270 nan 0.000 0.399 334 P HA 0.185 nan 4.420 nan 0.000 0.278 334 P C -1.076 176.248 177.300 0.039 0.000 1.266 334 P CA -0.363 62.794 63.100 0.096 0.000 0.807 334 P CB 0.910 32.700 31.700 0.150 0.000 1.094 335 R N 0.013 120.520 120.500 0.013 0.000 2.590 335 R HA 0.463 4.803 4.340 -0.000 0.000 0.274 335 R C 1.069 177.249 176.300 -0.200 0.000 1.061 335 R CA 1.070 57.139 56.100 -0.051 0.000 1.081 335 R CB -0.572 29.715 30.300 -0.021 0.000 0.984 335 R HN 0.905 nan 8.270 nan 0.000 0.448 336 G N 3.272 111.957 108.800 -0.191 0.000 2.693 336 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.226 336 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.226 336 G C -1.840 172.897 174.900 -0.271 0.000 1.354 336 G CA -0.449 44.476 45.100 -0.293 0.000 0.873 336 G HN 0.562 nan 8.290 nan 0.000 0.562 337 P HA 0.147 nan 4.420 nan 0.000 0.255 337 P C 0.360 177.721 177.300 0.101 0.000 1.301 337 P CA 0.323 63.404 63.100 -0.032 0.000 0.817 337 P CB -0.145 31.567 31.700 0.020 0.000 1.259 338 H N 1.106 120.239 119.070 0.104 0.000 2.639 338 H HA 0.384 4.940 4.556 -0.000 0.000 0.373 338 H C 0.854 176.295 175.328 0.189 0.000 1.372 338 H CA -0.880 55.236 56.048 0.114 0.000 1.448 338 H CB -0.114 29.702 29.762 0.091 0.000 1.544 338 H HN 0.048 nan 8.280 nan 0.000 0.615 339 A N 1.137 124.147 122.820 0.316 0.000 2.407 339 A HA 0.262 4.582 4.320 -0.000 0.000 0.248 339 A C -0.130 177.578 177.584 0.206 0.000 1.082 339 A CA -0.547 51.672 52.037 0.303 0.000 0.785 339 A CB -0.079 19.039 19.000 0.196 0.000 1.020 339 A HN 0.382 nan 8.150 nan 0.000 0.489 340 L N 2.318 123.566 121.223 0.041 0.000 2.455 340 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 340 L C 1.256 178.181 176.870 0.092 0.000 1.174 340 L CA 1.273 56.098 54.840 -0.025 0.000 0.869 340 L CB 0.272 42.157 42.059 -0.290 0.000 1.130 340 L HN 0.888 nan 8.230 nan 0.000 0.474 341 G N 1.883 110.784 108.800 0.169 0.000 2.695 341 G HA2 0.607 4.567 3.960 -0.000 0.000 0.213 341 G HA3 0.607 4.567 3.960 -0.000 0.000 0.213 341 G C -0.356 174.686 174.900 0.236 0.000 1.406 341 G CA -0.134 45.064 45.100 0.164 0.000 1.049 341 G HN 0.894 nan 8.290 nan 0.000 0.573 342 A N 0.069 122.987 122.820 0.163 0.000 2.492 342 A HA 0.501 4.821 4.320 -0.000 0.000 0.236 342 A C -1.967 175.668 177.584 0.086 0.000 1.078 342 A CA -0.441 51.684 52.037 0.146 0.000 0.773 342 A CB -0.612 18.431 19.000 0.072 0.000 1.023 342 A HN 0.405 nan 8.150 nan 0.000 0.504 343 P HA 0.107 nan 4.420 nan 0.000 0.267 343 P C 0.451 177.620 177.300 -0.218 0.000 1.200 343 P CA 0.186 62.990 63.100 -0.495 0.000 0.772 343 P CB 0.621 32.063 31.700 -0.430 0.000 0.855 344 S N 0.854 116.426 115.700 -0.213 0.000 2.446 344 S HA 0.100 4.569 4.470 -0.000 0.000 0.225 344 S C 0.452 174.985 174.600 -0.111 0.000 1.016 344 S CA 0.513 58.653 58.200 -0.101 0.000 0.943 344 S CB -0.215 62.954 63.200 -0.052 0.000 0.786 344 S HN 0.375 nan 8.310 nan 0.000 0.508 345 L N 0.799 121.925 121.223 -0.163 0.000 2.513 345 L HA 0.510 4.850 4.340 -0.000 0.000 0.261 345 L C -2.063 174.680 176.870 -0.211 0.000 0.945 345 L CA -0.497 54.251 54.840 -0.154 0.000 0.848 345 L CB 1.509 43.487 42.059 -0.135 0.000 1.334 345 L HN 0.015 nan 8.230 nan 0.000 0.407 346 L N 5.626 126.721 121.223 -0.214 0.000 2.305 346 L HA 0.552 4.892 4.340 -0.000 0.000 0.284 346 L C -0.877 175.832 176.870 -0.268 0.000 1.013 346 L CA -0.561 54.095 54.840 -0.307 0.000 0.819 346 L CB 1.479 43.354 42.059 -0.305 0.000 1.227 346 L HN 0.496 nan 8.230 nan 0.000 0.417 347 L N 3.206 124.261 121.223 -0.280 0.000 2.295 347 L HA 0.611 4.951 4.340 -0.000 0.000 0.285 347 L C -0.156 176.602 176.870 -0.187 0.000 1.035 347 L CA -0.235 54.475 54.840 -0.216 0.000 0.806 347 L CB 1.848 43.768 42.059 -0.232 0.000 1.214 347 L HN 0.553 nan 8.230 nan 0.000 0.426 348 T N 1.172 115.532 114.554 -0.324 0.000 2.861 348 T HA 0.467 4.817 4.350 -0.000 0.000 0.287 348 T C 0.321 174.646 174.700 -0.625 0.000 1.003 348 T CA -0.592 61.307 62.100 -0.335 0.000 0.977 348 T CB 1.883 70.649 68.868 -0.170 0.000 0.996 348 T HN 0.728 nan 8.240 nan 0.000 0.448 349 G N 0.767 109.219 108.800 -0.581 0.000 2.667 349 G HA2 0.401 4.361 3.960 -0.000 0.000 0.250 349 G HA3 0.401 4.361 3.960 -0.000 0.000 0.250 349 G C 0.956 175.729 174.900 -0.211 0.000 1.212 349 G CA 0.182 44.977 45.100 -0.509 0.000 0.874 349 G HN 0.824 nan 8.290 nan 0.000 0.561 350 T N -3.164 111.316 114.554 -0.124 0.000 2.989 350 T HA 0.178 4.528 4.350 -0.000 0.000 0.250 350 T C 0.881 175.568 174.700 -0.021 0.000 0.981 350 T CA 0.043 62.105 62.100 -0.064 0.000 0.980 350 T CB 0.118 68.953 68.868 -0.055 0.000 1.133 350 T HN 0.414 nan 8.240 nan 0.000 0.489 351 Q N 1.770 121.581 119.800 0.017 0.000 2.279 351 Q HA 0.540 4.880 4.340 -0.000 0.000 0.256 351 Q C -0.631 175.380 176.000 0.020 0.000 0.937 351 Q CA -0.796 55.029 55.803 0.035 0.000 0.933 351 Q CB 0.928 29.719 28.738 0.088 0.000 1.189 351 Q HN 0.447 nan 8.270 nan 0.000 0.417 352 L N 5.442 126.628 121.223 -0.061 0.000 2.525 352 L HA 0.010 4.350 4.340 -0.000 0.000 0.278 352 L C -0.666 176.126 176.870 -0.130 0.000 1.218 352 L CA 0.912 55.612 54.840 -0.234 0.000 0.878 352 L CB -0.246 41.573 42.059 -0.400 0.000 1.127 352 L HN 0.832 nan 8.230 nan 0.000 0.492 353 Y N 1.570 121.921 120.300 0.085 0.000 4.604 353 Y HA -0.240 4.310 4.550 -0.000 0.000 0.230 353 Y C 1.666 177.667 175.900 0.168 0.000 1.066 353 Y CA 0.898 59.053 58.100 0.091 0.000 1.990 353 Y CB -2.300 36.183 38.460 0.038 0.000 1.619 353 Y HN 0.692 nan 8.280 nan 0.000 0.649 354 G N -0.098 108.876 108.800 0.290 0.000 2.484 354 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 354 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 354 G C 0.933 176.041 174.900 0.346 0.000 1.130 354 G CA 0.397 45.688 45.100 0.319 0.000 0.784 354 G HN 0.469 nan 8.290 nan 0.000 0.543 355 R N -1.535 119.154 120.500 0.315 0.000 3.422 355 R HA -0.188 4.152 4.340 -0.000 0.000 0.267 355 R C -0.223 176.216 176.300 0.232 0.000 1.074 355 R CA 0.208 56.467 56.100 0.265 0.000 0.718 355 R CB -2.482 27.990 30.300 0.286 0.000 1.157 355 R HN 0.371 nan 8.270 nan 0.000 0.440 356 F N 1.153 121.178 119.950 0.124 0.000 2.612 356 F HA 0.156 4.682 4.527 -0.000 0.000 0.389 356 F C 1.565 177.410 175.800 0.074 0.000 1.055 356 F CA 2.058 60.116 58.000 0.097 0.000 1.232 356 F CB 0.517 39.574 39.000 0.094 0.000 1.044 356 F HN 0.420 nan 8.300 nan 0.000 0.560 357 G N 3.135 111.660 108.800 -0.459 0.000 2.159 357 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.227 357 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.227 357 G C 1.071 175.902 174.900 -0.116 0.000 0.986 357 G CA 0.502 45.423 45.100 -0.300 0.000 0.651 357 G HN 0.975 nan 8.290 nan 0.000 0.523 358 S N -0.555 115.081 115.700 -0.108 0.000 2.383 358 S HA 0.513 4.983 4.470 -0.000 0.000 0.227 358 S C 1.272 175.879 174.600 0.011 0.000 1.026 358 S CA 2.005 60.152 58.200 -0.089 0.000 0.981 358 S CB -0.090 63.080 63.200 -0.051 0.000 0.818 358 S HN 1.979 nan 8.310 nan 0.000 0.472 359 A N 0.162 122.928 122.820 -0.090 0.000 2.449 359 A HA 0.759 5.079 4.320 -0.000 0.000 0.302 359 A C -1.230 176.280 177.584 -0.123 0.000 1.048 359 A CA -0.719 51.250 52.037 -0.113 0.000 0.708 359 A CB 1.157 20.055 19.000 -0.170 0.000 1.274 359 A HN 0.397 nan 8.150 nan 0.000 0.410 360 I N 1.375 121.888 120.570 -0.095 0.000 2.478 360 I HA 0.582 4.752 4.170 -0.000 0.000 0.287 360 I C 0.114 176.201 176.117 -0.051 0.000 1.042 360 I CA -0.448 60.803 61.300 -0.083 0.000 1.067 360 I CB 2.153 40.108 38.000 -0.075 0.000 1.233 360 I HN 0.733 nan 8.210 nan 0.000 0.431 361 A N 7.639 130.440 122.820 -0.031 0.000 2.304 361 A HA 0.819 5.139 4.320 -0.000 0.000 0.314 361 A C -2.717 174.879 177.584 0.020 0.000 1.187 361 A CA -1.726 50.308 52.037 -0.005 0.000 0.810 361 A CB 0.678 19.677 19.000 -0.002 0.000 1.183 361 A HN 0.334 nan 8.150 nan 0.000 0.487 362 P HA 0.125 nan 4.420 nan 0.000 0.265 362 P C 0.248 177.577 177.300 0.047 0.000 1.193 362 P CA 0.236 63.357 63.100 0.036 0.000 0.765 362 P CB 0.523 32.238 31.700 0.025 0.000 0.823 363 L N 1.774 123.028 121.223 0.051 0.000 2.693 363 L HA 0.262 4.602 4.340 -0.000 0.000 0.235 363 L C 1.447 178.337 176.870 0.033 0.000 1.127 363 L CA 0.263 55.133 54.840 0.050 0.000 0.914 363 L CB -0.574 41.517 42.059 0.055 0.000 1.193 363 L HN 0.680 nan 8.230 nan 0.000 0.502 364 G N 1.084 109.902 108.800 0.030 0.000 2.569 364 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.259 364 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.259 364 G C -0.372 174.549 174.900 0.035 0.000 1.263 364 G CA 0.041 45.152 45.100 0.020 0.000 0.928 364 G HN 0.288 nan 8.290 nan 0.000 0.572 365 D N 0.406 120.819 120.400 0.021 0.000 2.456 365 D HA 0.449 5.089 4.640 -0.000 0.000 0.219 365 D C 1.375 177.702 176.300 0.045 0.000 1.126 365 D CA -0.440 53.582 54.000 0.036 0.000 0.890 365 D CB 0.951 41.755 40.800 0.006 0.000 1.025 365 D HN 0.427 nan 8.370 nan 0.000 0.511 366 L N 3.903 125.170 121.223 0.074 0.000 2.027 366 L HA -0.033 4.307 4.340 -0.000 0.000 0.206 366 L C 1.492 178.456 176.870 0.156 0.000 1.074 366 L CA 1.815 56.717 54.840 0.103 0.000 0.745 366 L CB -0.182 41.926 42.059 0.082 0.000 0.898 366 L HN 0.435 nan 8.230 nan 0.000 0.433 367 D N -1.558 118.918 120.400 0.126 0.000 2.339 367 D HA -0.074 4.566 4.640 -0.000 0.000 0.217 367 D C -0.024 176.350 176.300 0.124 0.000 1.050 367 D CA -0.080 54.005 54.000 0.143 0.000 0.856 367 D CB -0.022 40.839 40.800 0.102 0.000 0.922 367 D HN 0.240 nan 8.370 nan 0.000 0.518 368 R N 1.123 121.665 120.500 0.070 0.000 3.332 368 R HA -0.132 4.208 4.340 -0.000 0.000 0.263 368 R C -0.137 176.169 176.300 0.010 0.000 1.053 368 R CA 1.026 57.124 56.100 -0.002 0.000 0.705 368 R CB -3.125 27.135 30.300 -0.067 0.000 1.166 368 R HN 0.551 nan 8.270 nan 0.000 0.427 369 D N -1.334 119.090 120.400 0.041 0.000 2.398 369 D HA 0.197 4.837 4.640 -0.000 0.000 0.210 369 D C 1.209 177.495 176.300 -0.023 0.000 1.094 369 D CA 0.631 54.664 54.000 0.056 0.000 0.839 369 D CB 0.308 41.193 40.800 0.141 0.000 0.963 369 D HN 0.467 nan 8.370 nan 0.000 0.506 370 G N -0.488 108.250 108.800 -0.104 0.000 2.184 370 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 370 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 370 G C -0.395 174.228 174.900 -0.462 0.000 0.995 370 G CA -0.161 44.753 45.100 -0.310 0.000 0.651 370 G HN 0.348 nan 8.290 nan 0.000 0.511 371 Y N 1.008 121.316 120.300 0.013 0.000 2.409 371 Y HA 0.591 5.141 4.550 -0.000 0.000 0.343 371 Y C 0.341 176.257 175.900 0.027 0.000 0.973 371 Y CA -1.262 56.850 58.100 0.021 0.000 1.064 371 Y CB 1.322 39.798 38.460 0.028 0.000 1.207 371 Y HN 0.000 nan 8.280 nan 0.000 0.452 372 N N 2.836 121.642 118.700 0.178 0.000 2.482 372 N HA 0.159 4.899 4.740 -0.000 0.000 0.260 372 N C -0.987 174.599 175.510 0.128 0.000 1.236 372 N CA 0.063 53.185 53.050 0.119 0.000 0.938 372 N CB 0.722 39.264 38.487 0.093 0.000 1.128 372 N HN 0.637 nan 8.380 nan 0.000 0.448 373 D N 0.226 120.688 120.400 0.103 0.000 2.493 373 D HA 0.548 5.188 4.640 -0.000 0.000 0.239 373 D C 0.212 176.571 176.300 0.097 0.000 1.049 373 D CA -0.360 53.705 54.000 0.107 0.000 1.008 373 D CB 2.031 42.890 40.800 0.098 0.000 1.398 373 D HN 0.460 nan 8.370 nan 0.000 0.513 374 I N -3.153 117.491 120.570 0.123 0.000 3.042 374 I HA 0.842 5.012 4.170 -0.000 0.000 0.310 374 I C -1.355 174.842 176.117 0.133 0.000 1.117 374 I CA -1.184 60.182 61.300 0.110 0.000 1.003 374 I CB 2.347 40.403 38.000 0.094 0.000 1.228 374 I HN 0.343 nan 8.210 nan 0.000 0.443 375 A N 3.714 126.582 122.820 0.082 0.000 2.330 375 A HA 0.774 5.094 4.320 -0.000 0.000 0.313 375 A C -0.919 176.683 177.584 0.029 0.000 1.124 375 A CA -0.607 51.465 52.037 0.059 0.000 0.774 375 A CB 1.492 20.489 19.000 -0.005 0.000 1.198 375 A HN 0.541 nan 8.150 nan 0.000 0.465 376 V N 1.969 121.917 119.914 0.056 0.000 2.435 376 V HA 0.654 4.774 4.120 -0.000 0.000 0.290 376 V C 0.669 176.679 176.094 -0.140 0.000 1.030 376 V CA -0.390 61.838 62.300 -0.119 0.000 0.881 376 V CB 1.419 33.069 31.823 -0.289 0.000 0.983 376 V HN 1.150 nan 8.190 nan 0.000 0.445 377 A N 3.750 126.460 122.820 -0.185 0.000 2.331 377 A HA 0.814 5.134 4.320 -0.000 0.000 0.283 377 A C 0.313 177.846 177.584 -0.086 0.000 1.142 377 A CA -0.108 51.855 52.037 -0.124 0.000 0.812 377 A CB 0.860 19.779 19.000 -0.134 0.000 1.074 377 A HN 1.396 nan 8.150 nan 0.000 0.497 378 A N 4.203 127.056 122.820 0.057 0.000 2.664 378 A HA 0.654 4.974 4.320 -0.000 0.000 0.338 378 A C -2.144 175.508 177.584 0.114 0.000 1.280 378 A CA -1.360 50.771 52.037 0.157 0.000 0.809 378 A CB 0.495 19.680 19.000 0.308 0.000 1.114 378 A HN 0.480 nan 8.150 nan 0.000 0.479 379 P HA -0.102 nan 4.420 nan 0.000 0.225 379 P C -0.015 176.994 177.300 -0.483 0.000 1.148 379 P CA 1.493 64.468 63.100 -0.208 0.000 0.779 379 P CB -0.043 31.480 31.700 -0.294 0.000 0.780 380 Y N -1.759 118.654 120.300 0.188 0.000 2.696 380 Y HA 0.449 4.999 4.550 -0.000 0.000 0.260 380 Y C 1.636 177.638 175.900 0.170 0.000 1.165 380 Y CA -0.671 57.530 58.100 0.168 0.000 1.189 380 Y CB -0.140 38.413 38.460 0.155 0.000 1.180 380 Y HN -0.158 nan 8.280 nan 0.000 0.538 381 G N -0.201 108.745 108.800 0.244 0.000 2.510 381 G HA2 0.520 4.480 3.960 -0.000 0.000 0.280 381 G HA3 0.520 4.480 3.960 -0.000 0.000 0.280 381 G C 0.296 175.299 174.900 0.172 0.000 1.386 381 G CA 0.022 45.251 45.100 0.215 0.000 1.047 381 G HN 0.549 nan 8.290 nan 0.000 0.527 382 G N -1.634 107.251 108.800 0.141 0.000 2.733 382 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.686 382 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.686 382 G C -1.422 173.529 174.900 0.086 0.000 1.373 382 G CA 0.008 45.170 45.100 0.104 0.000 0.838 382 G HN 0.578 nan 8.290 nan 0.000 0.588 383 P HA -0.056 nan 4.420 nan 0.000 0.221 383 P C 1.765 179.098 177.300 0.055 0.000 1.145 383 P CA 2.117 65.247 63.100 0.050 0.000 0.795 383 P CB -0.037 31.683 31.700 0.034 0.000 0.775 384 S N -2.376 113.360 115.700 0.060 0.000 2.524 384 S HA 0.320 4.790 4.470 -0.000 0.000 0.216 384 S C 1.729 176.381 174.600 0.087 0.000 0.987 384 S CA 0.442 58.677 58.200 0.060 0.000 0.909 384 S CB -1.097 62.129 63.200 0.043 0.000 0.781 384 S HN 0.282 nan 8.310 nan 0.000 0.521 385 G N 2.048 110.917 108.800 0.114 0.000 2.162 385 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 385 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 385 G C 0.876 175.887 174.900 0.185 0.000 0.976 385 G CA 0.435 45.635 45.100 0.166 0.000 0.655 385 G HN 0.548 nan 8.290 nan 0.000 0.533 386 R N 0.319 120.897 120.500 0.130 0.000 2.276 386 R HA 0.421 4.761 4.340 -0.000 0.000 0.196 386 R C 1.300 177.671 176.300 0.119 0.000 0.961 386 R CA 0.757 56.924 56.100 0.112 0.000 1.024 386 R CB 0.273 30.607 30.300 0.056 0.000 0.940 386 R HN 1.450 nan 8.270 nan 0.000 0.480 387 G N 0.840 109.730 108.800 0.150 0.000 2.697 387 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.684 387 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.684 387 G C -1.323 173.773 174.900 0.326 0.000 1.274 387 G CA -0.934 44.307 45.100 0.234 0.000 0.806 387 G HN 0.078 nan 8.290 nan 0.000 0.644 388 Q N -0.782 119.226 119.800 0.347 0.000 2.379 388 Q HA 0.657 4.997 4.340 -0.000 0.000 0.278 388 Q C -0.958 175.193 176.000 0.250 0.000 1.068 388 Q CA -1.025 54.973 55.803 0.326 0.000 0.816 388 Q CB 3.315 32.180 28.738 0.211 0.000 1.387 388 Q HN 0.663 nan 8.270 nan 0.000 0.413 389 V N 2.871 122.909 119.914 0.207 0.000 2.495 389 V HA 0.489 4.609 4.120 -0.000 0.000 0.298 389 V C -0.984 175.132 176.094 0.037 0.000 1.031 389 V CA -0.683 61.640 62.300 0.039 0.000 0.871 389 V CB 1.523 33.278 31.823 -0.114 0.000 0.988 389 V HN 0.541 nan 8.190 nan 0.000 0.432 390 L N 5.379 126.639 121.223 0.061 0.000 2.322 390 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 390 L C -0.213 176.601 176.870 -0.094 0.000 1.014 390 L CA -0.326 54.509 54.840 -0.008 0.000 0.815 390 L CB 1.906 44.062 42.059 0.162 0.000 1.247 390 L HN 0.366 nan 8.230 nan 0.000 0.421 391 V N 3.323 123.090 119.914 -0.246 0.000 2.439 391 V HA 0.451 4.571 4.120 -0.000 0.000 0.282 391 V C -0.525 175.330 176.094 -0.398 0.000 1.039 391 V CA -0.341 61.853 62.300 -0.177 0.000 0.913 391 V CB 1.051 32.810 31.823 -0.106 0.000 0.983 391 V HN 0.395 nan 8.190 nan 0.000 0.460 392 F N 4.373 124.341 119.950 0.030 0.000 2.493 392 F HA 0.604 5.131 4.527 -0.000 0.000 0.329 392 F C -0.012 175.804 175.800 0.026 0.000 1.126 392 F CA -0.629 57.390 58.000 0.031 0.000 0.937 392 F CB 1.579 40.603 39.000 0.040 0.000 1.146 392 F HN 0.202 nan 8.300 nan 0.000 0.442 393 L N 2.806 124.124 121.223 0.159 0.000 2.334 393 L HA 0.611 4.951 4.340 -0.000 0.000 0.277 393 L C 0.849 177.773 176.870 0.090 0.000 1.075 393 L CA -0.756 54.148 54.840 0.107 0.000 0.804 393 L CB 0.979 43.079 42.059 0.067 0.000 1.174 393 L HN 0.768 nan 8.230 nan 0.000 0.438 394 G N 1.710 110.564 108.800 0.089 0.000 2.606 394 G HA2 0.496 4.456 3.960 -0.000 0.000 0.252 394 G HA3 0.496 4.456 3.960 -0.000 0.000 0.252 394 G C -0.722 174.079 174.900 -0.164 0.000 1.206 394 G CA -0.141 44.982 45.100 0.037 0.000 0.861 394 G HN 0.740 nan 8.290 nan 0.000 0.561 395 Q N -2.071 117.474 119.800 -0.425 0.000 2.738 395 Q HA 0.433 4.773 4.340 -0.000 0.000 0.301 395 Q C 0.733 176.261 176.000 -0.788 0.000 0.901 395 Q CA -0.208 55.051 55.803 -0.906 0.000 0.756 395 Q CB 0.723 29.217 28.738 -0.407 0.000 1.463 395 Q HN 0.567 nan 8.270 nan 0.000 0.432 396 S N -0.325 114.952 115.700 -0.704 0.000 2.400 396 S HA -0.173 4.297 4.470 -0.000 0.000 0.232 396 S C 0.803 175.358 174.600 -0.074 0.000 1.025 396 S CA 1.547 59.640 58.200 -0.178 0.000 0.993 396 S CB -0.292 62.903 63.200 -0.008 0.000 0.808 396 S HN 0.596 nan 8.310 nan 0.000 0.478 397 E N 1.177 121.315 120.200 -0.103 0.000 2.479 397 E HA 0.389 4.739 4.350 -0.000 0.000 0.193 397 E C 1.261 177.837 176.600 -0.040 0.000 1.049 397 E CA 0.572 56.944 56.400 -0.047 0.000 0.870 397 E CB 0.452 30.126 29.700 -0.043 0.000 0.944 397 E HN 0.658 nan 8.360 nan 0.000 0.492 398 G N 0.429 109.194 108.800 -0.057 0.000 1.894 398 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.076 398 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.076 398 G C -1.008 173.870 174.900 -0.036 0.000 0.954 398 G CA -0.632 44.452 45.100 -0.028 0.000 1.214 398 G HN 0.083 nan 8.290 nan 0.000 0.409 399 L N 1.051 122.257 121.223 -0.028 0.000 2.354 399 L HA 0.659 4.999 4.340 -0.000 0.000 0.264 399 L C 0.460 177.339 176.870 0.015 0.000 1.008 399 L CA -1.226 53.617 54.840 0.003 0.000 0.819 399 L CB 1.995 44.061 42.059 0.011 0.000 1.339 399 L HN 0.393 nan 8.230 nan 0.000 0.420 400 R N 0.377 120.917 120.500 0.068 0.000 2.643 400 R HA 0.075 4.415 4.340 -0.000 0.000 0.270 400 R C 0.913 177.317 176.300 0.174 0.000 1.061 400 R CA 0.192 56.347 56.100 0.092 0.000 1.107 400 R CB 0.768 31.125 30.300 0.095 0.000 0.999 400 R HN 0.805 nan 8.270 nan 0.000 0.460 401 S N 1.682 117.454 115.700 0.120 0.000 2.528 401 S HA 0.070 4.540 4.470 -0.000 0.000 0.219 401 S C 0.625 175.368 174.600 0.237 0.000 0.985 401 S CA 0.012 58.281 58.200 0.115 0.000 0.914 401 S CB 0.395 63.614 63.200 0.032 0.000 0.776 401 S HN 0.442 nan 8.310 nan 0.000 0.526 402 R N 2.192 122.821 120.500 0.214 0.000 2.562 402 R HA 0.505 4.845 4.340 -0.000 0.000 0.298 402 R C -2.954 173.350 176.300 0.006 0.000 0.961 402 R CA -2.356 53.831 56.100 0.145 0.000 0.881 402 R CB 1.220 31.548 30.300 0.047 0.000 1.159 402 R HN 0.219 nan 8.270 nan 0.000 0.450 403 P HA -0.015 nan 4.420 nan 0.000 0.271 403 P C 0.232 177.356 177.300 -0.294 0.000 1.218 403 P CA -0.087 62.612 63.100 -0.669 0.000 0.780 403 P CB 1.143 32.407 31.700 -0.728 0.000 0.901 404 S N 0.778 116.326 115.700 -0.252 0.000 2.496 404 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 404 S C 0.662 175.197 174.600 -0.108 0.000 0.996 404 S CA 0.208 58.335 58.200 -0.122 0.000 0.927 404 S CB -0.145 63.012 63.200 -0.071 0.000 0.774 404 S HN 0.692 nan 8.310 nan 0.000 0.524 405 Q N -0.459 119.252 119.800 -0.149 0.000 2.545 405 Q HA 0.533 4.873 4.340 -0.000 0.000 0.273 405 Q C -2.480 173.449 176.000 -0.118 0.000 0.975 405 Q CA -0.591 55.150 55.803 -0.103 0.000 0.876 405 Q CB 2.075 30.767 28.738 -0.077 0.000 1.472 405 Q HN 0.162 nan 8.270 nan 0.000 0.389 406 V N 3.658 123.531 119.914 -0.069 0.000 2.638 406 V HA 0.527 4.647 4.120 -0.000 0.000 0.306 406 V C -0.839 175.249 176.094 -0.010 0.000 1.052 406 V CA -0.657 61.620 62.300 -0.037 0.000 0.885 406 V CB 1.869 33.683 31.823 -0.014 0.000 0.999 406 V HN 0.677 nan 8.190 nan 0.000 0.424 407 L N 4.020 125.249 121.223 0.011 0.000 2.294 407 L HA 0.546 4.886 4.340 -0.000 0.000 0.283 407 L C -0.477 176.482 176.870 0.150 0.000 1.015 407 L CA -0.486 54.379 54.840 0.041 0.000 0.831 407 L CB 1.326 43.310 42.059 -0.125 0.000 1.217 407 L HN 0.530 nan 8.230 nan 0.000 0.420 408 D N 1.765 122.200 120.400 0.059 0.000 2.304 408 D HA 0.043 4.683 4.640 -0.000 0.000 0.250 408 D C 0.236 176.369 176.300 -0.278 0.000 1.107 408 D CA 0.047 54.034 54.000 -0.021 0.000 0.885 408 D CB 1.989 42.775 40.800 -0.023 0.000 1.192 408 D HN 0.374 nan 8.370 nan 0.000 0.436 409 S N 2.574 117.939 115.700 -0.559 0.000 2.575 409 S HA 0.009 4.479 4.470 -0.000 0.000 0.295 409 S C -1.351 172.884 174.600 -0.608 0.000 1.267 409 S CA -0.934 56.564 58.200 -1.170 0.000 1.074 409 S CB 0.585 63.427 63.200 -0.596 0.000 0.829 409 S HN 0.297 nan 8.310 nan 0.000 0.497 410 P HA 0.151 nan 4.420 nan 0.000 0.249 410 P C -0.323 176.638 177.300 -0.565 0.000 1.229 410 P CA 0.236 63.012 63.100 -0.540 0.000 0.788 410 P CB -0.020 31.387 31.700 -0.488 0.000 1.072 411 F N 1.092 120.957 119.950 -0.142 0.000 2.457 411 F HA 0.509 5.036 4.527 -0.000 0.000 0.330 411 F C -1.693 174.063 175.800 -0.074 0.000 1.069 411 F CA -2.861 55.086 58.000 -0.088 0.000 1.009 411 F CB -0.877 38.110 39.000 -0.022 0.000 1.276 411 F HN -0.288 nan 8.300 nan 0.000 0.492 412 P HA 0.136 nan 4.420 nan 0.000 0.275 412 P C -0.517 176.833 177.300 0.084 0.000 1.270 412 P CA -0.431 62.715 63.100 0.076 0.000 0.791 412 P CB 0.214 31.946 31.700 0.053 0.000 1.089 413 T N 0.314 114.908 114.554 0.066 0.000 2.946 413 T HA 0.306 4.656 4.350 -0.000 0.000 0.311 413 T C 1.312 176.062 174.700 0.083 0.000 1.063 413 T CA 1.713 63.863 62.100 0.083 0.000 1.139 413 T CB -0.638 68.273 68.868 0.072 0.000 0.994 413 T HN 0.831 nan 8.240 nan 0.000 0.547 414 G N 1.759 110.632 108.800 0.122 0.000 2.179 414 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 414 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 414 G C 1.204 176.110 174.900 0.010 0.000 0.977 414 G CA 0.939 46.106 45.100 0.111 0.000 0.641 414 G HN 1.035 nan 8.290 nan 0.000 0.533 415 S N -0.206 115.489 115.700 -0.008 0.000 2.453 415 S HA 0.394 4.864 4.470 -0.000 0.000 0.231 415 S C 2.084 176.522 174.600 -0.270 0.000 1.005 415 S CA 1.679 59.813 58.200 -0.109 0.000 0.949 415 S CB -0.204 63.007 63.200 0.019 0.000 0.774 415 S HN 2.381 nan 8.310 nan 0.000 0.510 416 A N -0.124 122.536 122.820 -0.267 0.000 2.860 416 A HA -0.211 4.109 4.320 -0.000 0.000 0.267 416 A C 0.217 177.728 177.584 -0.122 0.000 1.421 416 A CA 0.662 52.451 52.037 -0.414 0.000 0.831 416 A CB -3.053 15.519 19.000 -0.713 0.000 1.041 416 A HN 1.106 nan 8.150 nan 0.000 0.623 417 F N 0.386 120.273 119.950 -0.105 0.000 2.512 417 F HA 0.309 4.836 4.527 -0.000 0.000 0.406 417 F C 1.456 177.292 175.800 0.059 0.000 0.990 417 F CA 1.748 59.797 58.000 0.081 0.000 1.137 417 F CB -0.234 38.893 39.000 0.212 0.000 0.960 417 F HN 1.567 nan 8.300 nan 0.000 0.533 418 G N 4.986 113.577 108.800 -0.349 0.000 2.195 418 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.224 418 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.224 418 G C 0.773 175.614 174.900 -0.098 0.000 0.990 418 G CA 0.136 45.030 45.100 -0.342 0.000 0.639 418 G HN 0.766 nan 8.290 nan 0.000 0.514 419 F N 2.830 122.699 119.950 -0.135 0.000 2.216 419 F HA 0.218 4.745 4.527 -0.000 0.000 0.300 419 F C 1.548 177.287 175.800 -0.101 0.000 1.085 419 F CA 2.018 59.979 58.000 -0.065 0.000 1.326 419 F CB 0.151 39.174 39.000 0.038 0.000 1.027 419 F HN 0.465 nan 8.300 nan 0.000 0.497 420 S N 0.321 116.006 115.700 -0.024 0.000 2.542 420 S HA 0.721 5.191 4.470 -0.000 0.000 0.293 420 S C -1.087 173.448 174.600 -0.110 0.000 1.089 420 S CA -0.808 57.314 58.200 -0.131 0.000 0.961 420 S CB 2.344 65.507 63.200 -0.063 0.000 1.062 420 S HN 0.133 nan 8.310 nan 0.000 0.483 421 L N 1.318 122.471 121.223 -0.117 0.000 2.472 421 L HA 0.705 5.045 4.340 -0.000 0.000 0.260 421 L C -0.797 176.037 176.870 -0.059 0.000 0.963 421 L CA -0.671 54.115 54.840 -0.091 0.000 0.829 421 L CB 2.630 44.630 42.059 -0.097 0.000 1.348 421 L HN 0.779 nan 8.230 nan 0.000 0.408 422 R N 0.593 121.078 120.500 -0.026 0.000 2.584 422 R HA 0.782 5.122 4.340 -0.000 0.000 0.276 422 R C -0.722 175.725 176.300 0.244 0.000 1.046 422 R CA -0.212 55.922 56.100 0.056 0.000 0.906 422 R CB 2.264 32.535 30.300 -0.049 0.000 1.215 422 R HN 0.745 nan 8.270 nan 0.000 0.449 423 G N 0.369 109.343 108.800 0.289 0.000 3.243 423 G HA2 0.554 4.514 3.960 -0.000 0.000 0.248 423 G HA3 0.554 4.514 3.960 -0.000 0.000 0.248 423 G C -0.387 174.599 174.900 0.142 0.000 1.267 423 G CA -0.217 45.045 45.100 0.269 0.000 0.906 423 G HN 1.191 nan 8.290 nan 0.000 0.592 424 A N -2.566 120.258 122.820 0.008 0.000 3.021 424 A HA -0.055 4.265 4.320 -0.000 0.000 0.257 424 A C 0.250 177.705 177.584 -0.215 0.000 1.277 424 A CA 1.220 53.217 52.037 -0.067 0.000 1.012 424 A CB -2.111 16.880 19.000 -0.014 0.000 1.147 424 A HN 1.687 nan 8.150 nan 0.000 0.861 425 V N 0.425 120.055 119.914 -0.472 0.000 2.656 425 V HA 0.579 4.699 4.120 -0.000 0.000 0.307 425 V C -0.372 175.362 176.094 -0.600 0.000 1.051 425 V CA -0.220 61.666 62.300 -0.692 0.000 0.893 425 V CB 1.962 33.024 31.823 -1.269 0.000 0.999 425 V HN 0.452 nan 8.190 nan 0.000 0.426 426 D N 3.054 123.224 120.400 -0.385 0.000 2.411 426 D HA 0.284 4.924 4.640 -0.000 0.000 0.225 426 D C 0.548 176.658 176.300 -0.317 0.000 1.156 426 D CA -0.038 53.799 54.000 -0.272 0.000 0.874 426 D CB 1.233 41.934 40.800 -0.165 0.000 1.034 426 D HN 0.535 nan 8.370 nan 0.000 0.502 427 I N 2.579 122.915 120.570 -0.391 0.000 2.852 427 I HA -0.062 4.108 4.170 -0.000 0.000 0.264 427 I C 0.833 176.537 176.117 -0.689 0.000 1.179 427 I CA 0.599 61.605 61.300 -0.491 0.000 1.480 427 I CB 0.403 38.103 38.000 -0.501 0.000 1.111 427 I HN 0.321 nan 8.210 nan 0.000 0.441 428 D N -1.039 119.014 120.400 -0.579 0.000 2.363 428 D HA -0.037 4.603 4.640 -0.000 0.000 0.214 428 D C 0.497 176.754 176.300 -0.072 0.000 1.093 428 D CA 0.026 53.837 54.000 -0.315 0.000 0.837 428 D CB -0.345 40.382 40.800 -0.122 0.000 0.948 428 D HN 0.252 nan 8.370 nan 0.000 0.507 429 D N 1.163 121.503 120.400 -0.099 0.000 2.723 429 D HA -0.221 4.419 4.640 -0.000 0.000 0.236 429 D C 0.189 176.493 176.300 0.007 0.000 1.138 429 D CA 1.044 55.020 54.000 -0.040 0.000 0.676 429 D CB -1.424 39.370 40.800 -0.011 0.000 1.069 429 D HN 0.445 nan 8.370 nan 0.000 0.430 430 N N 0.025 118.743 118.700 0.030 0.000 2.230 430 N HA 0.207 4.947 4.740 -0.000 0.000 0.202 430 N C 1.552 177.155 175.510 0.156 0.000 1.119 430 N CA 0.881 53.992 53.050 0.102 0.000 0.851 430 N CB 0.261 38.821 38.487 0.122 0.000 0.990 430 N HN 0.559 nan 8.380 nan 0.000 0.497 431 G N -0.572 108.254 108.800 0.043 0.000 2.157 431 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 431 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 431 G C -0.810 173.945 174.900 -0.242 0.000 0.979 431 G CA 0.384 45.425 45.100 -0.097 0.000 0.650 431 G HN 0.411 nan 8.290 nan 0.000 0.529 432 Y N 0.758 121.026 120.300 -0.053 0.000 2.391 432 Y HA 0.578 5.128 4.550 -0.000 0.000 0.341 432 Y C -2.117 173.738 175.900 -0.074 0.000 0.965 432 Y CA -2.654 55.417 58.100 -0.048 0.000 1.067 432 Y CB 2.357 40.802 38.460 -0.025 0.000 1.199 432 Y HN -0.023 nan 8.280 nan 0.000 0.450 433 P HA 0.158 nan 4.420 nan 0.000 0.279 433 P C -0.912 176.388 177.300 -0.000 0.000 1.239 433 P CA -0.109 62.968 63.100 -0.038 0.000 0.789 433 P CB 1.666 33.333 31.700 -0.054 0.000 0.933 434 D N 1.357 121.728 120.400 -0.048 0.000 2.449 434 D HA 0.502 5.142 4.640 -0.000 0.000 0.250 434 D C -0.573 175.835 176.300 0.179 0.000 1.050 434 D CA -0.286 53.745 54.000 0.053 0.000 1.024 434 D CB 1.530 42.335 40.800 0.009 0.000 1.218 434 D HN 0.187 nan 8.370 nan 0.000 0.566 435 L N 0.990 122.363 121.223 0.250 0.000 2.385 435 L HA 0.480 4.820 4.340 -0.000 0.000 0.273 435 L C -0.959 176.097 176.870 0.311 0.000 0.990 435 L CA -0.638 54.365 54.840 0.271 0.000 0.821 435 L CB 1.350 43.499 42.059 0.150 0.000 1.279 435 L HN 0.364 nan 8.230 nan 0.000 0.412 436 I N 3.167 123.862 120.570 0.207 0.000 2.441 436 I HA 0.769 4.939 4.170 -0.000 0.000 0.295 436 I C -1.230 174.931 176.117 0.074 0.000 0.994 436 I CA -0.892 60.472 61.300 0.108 0.000 1.144 436 I CB 1.920 39.833 38.000 -0.145 0.000 1.314 436 I HN 0.296 nan 8.210 nan 0.000 0.445 437 V N 4.945 124.953 119.914 0.156 0.000 2.443 437 V HA 0.591 4.711 4.120 -0.000 0.000 0.293 437 V C 0.710 176.888 176.094 0.139 0.000 1.021 437 V CA -0.461 61.877 62.300 0.063 0.000 0.848 437 V CB 1.415 33.224 31.823 -0.022 0.000 0.998 437 V HN 0.984 nan 8.190 nan 0.000 0.424 438 G N 3.001 111.836 108.800 0.059 0.000 2.415 438 G HA2 0.568 4.528 3.960 -0.000 0.000 0.269 438 G HA3 0.568 4.528 3.960 -0.000 0.000 0.269 438 G C -0.014 174.960 174.900 0.124 0.000 1.209 438 G CA 0.086 45.251 45.100 0.108 0.000 0.835 438 G HN 1.210 nan 8.290 nan 0.000 0.534 439 A N 2.404 125.272 122.820 0.081 0.000 3.030 439 A HA 0.466 4.786 4.320 -0.000 0.000 0.335 439 A C 0.461 177.971 177.584 -0.124 0.000 1.089 439 A CA -0.647 51.344 52.037 -0.077 0.000 0.807 439 A CB -0.023 18.740 19.000 -0.396 0.000 1.099 439 A HN 1.011 nan 8.150 nan 0.000 0.474 440 Y N -0.319 119.983 120.300 0.005 0.000 2.274 440 Y HA 0.050 4.600 4.550 -0.000 0.000 0.290 440 Y C 1.666 177.585 175.900 0.031 0.000 1.145 440 Y CA 1.502 59.638 58.100 0.062 0.000 1.203 440 Y CB -0.674 37.870 38.460 0.140 0.000 0.984 440 Y HN 0.351 nan 8.280 nan 0.000 0.533 441 G N 0.251 108.747 108.800 -0.507 0.000 2.471 441 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 441 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 441 G C 1.468 176.289 174.900 -0.132 0.000 1.125 441 G CA 0.618 45.541 45.100 -0.295 0.000 0.775 441 G HN 0.672 nan 8.290 nan 0.000 0.548 442 A N 0.085 122.796 122.820 -0.182 0.000 2.390 442 A HA 0.296 4.616 4.320 -0.000 0.000 0.232 442 A C 1.062 178.574 177.584 -0.120 0.000 1.233 442 A CA 0.225 52.157 52.037 -0.176 0.000 0.907 442 A CB -0.068 18.714 19.000 -0.363 0.000 0.967 442 A HN 0.243 nan 8.150 nan 0.000 0.512 443 N N 0.089 118.782 118.700 -0.010 0.000 2.740 443 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 443 N C -0.459 175.137 175.510 0.144 0.000 1.062 443 N CA 1.351 54.471 53.050 0.116 0.000 0.704 443 N CB -1.213 37.297 38.487 0.038 0.000 0.968 443 N HN 0.798 nan 8.380 nan 0.000 0.547 444 Q N -0.808 119.077 119.800 0.140 0.000 2.456 444 Q HA 0.696 5.036 4.340 -0.000 0.000 0.284 444 Q C -0.950 175.243 176.000 0.321 0.000 1.061 444 Q CA -0.796 55.145 55.803 0.230 0.000 0.799 444 Q CB 2.823 31.570 28.738 0.014 0.000 1.445 444 Q HN 0.018 nan 8.270 nan 0.000 0.411 445 V N 0.688 120.928 119.914 0.542 0.000 2.656 445 V HA 0.774 4.894 4.120 -0.000 0.000 0.307 445 V C -1.022 175.423 176.094 0.584 0.000 1.051 445 V CA -0.645 61.942 62.300 0.478 0.000 0.893 445 V CB 1.720 33.762 31.823 0.364 0.000 0.999 445 V HN 0.835 nan 8.190 nan 0.000 0.426 446 A N 4.320 127.462 122.820 0.537 0.000 2.317 446 A HA 0.854 5.174 4.320 -0.000 0.000 0.327 446 A C -0.803 176.886 177.584 0.175 0.000 1.178 446 A CA -0.529 51.674 52.037 0.277 0.000 0.817 446 A CB 1.447 20.674 19.000 0.379 0.000 1.189 446 A HN 0.684 nan 8.150 nan 0.000 0.489 447 V N 2.960 122.875 119.914 0.002 0.000 2.370 447 V HA 0.299 4.418 4.120 -0.000 0.000 0.283 447 V C -1.212 174.848 176.094 -0.057 0.000 1.023 447 V CA -0.310 62.071 62.300 0.135 0.000 0.857 447 V CB 0.606 32.629 31.823 0.333 0.000 0.985 447 V HN 0.739 nan 8.190 nan 0.000 0.443 448 Y N 3.941 124.303 120.300 0.102 0.000 2.353 448 Y HA 0.522 5.072 4.550 -0.000 0.000 0.340 448 Y C 0.789 176.727 175.900 0.062 0.000 0.972 448 Y CA -0.576 57.566 58.100 0.070 0.000 1.157 448 Y CB 1.023 39.527 38.460 0.074 0.000 1.157 448 Y HN 0.471 nan 8.280 nan 0.000 0.495 449 R N 2.170 122.760 120.500 0.149 0.000 2.265 449 R HA 0.608 4.948 4.340 -0.000 0.000 0.314 449 R C -0.158 176.181 176.300 0.064 0.000 1.053 449 R CA -0.569 55.581 56.100 0.083 0.000 0.931 449 R CB 0.831 31.172 30.300 0.070 0.000 1.024 449 R HN 0.776 nan 8.270 nan 0.000 0.457 450 A N 3.327 126.171 122.820 0.039 0.000 2.388 450 A HA 0.196 4.516 4.320 -0.000 0.000 0.257 450 A C -0.286 177.200 177.584 -0.164 0.000 1.095 450 A CA -0.256 51.775 52.037 -0.009 0.000 0.791 450 A CB 0.618 19.660 19.000 0.070 0.000 1.029 450 A HN 0.545 nan 8.150 nan 0.000 0.489 451 Q N 0.558 120.180 119.800 -0.297 0.000 2.552 451 Q HA 0.483 4.823 4.340 -0.000 0.000 0.289 451 Q C -2.728 172.829 176.000 -0.738 0.000 1.097 451 Q CA -2.119 53.407 55.803 -0.461 0.000 0.812 451 Q CB 0.722 29.336 28.738 -0.208 0.000 1.460 451 Q HN 0.405 nan 8.270 nan 0.000 0.452 452 P HA -0.001 nan 4.420 nan 0.000 0.266 452 P C -0.414 176.783 177.300 -0.171 0.000 1.195 452 P CA 0.057 62.913 63.100 -0.407 0.000 0.768 452 P CB 0.403 32.017 31.700 -0.142 0.000 0.838 453 V N 4.186 124.074 119.914 -0.043 0.000 2.763 453 V HA -0.023 4.097 4.120 -0.000 0.000 0.306 453 V C 1.066 177.157 176.094 -0.005 0.000 1.059 453 V CA 0.222 62.520 62.300 -0.004 0.000 1.138 453 V CB 0.542 32.395 31.823 0.049 0.000 0.940 453 V HN 0.273 nan 8.190 nan 0.000 0.489 454 V N 0.000 119.909 119.914 -0.008 0.000 2.409 454 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 454 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 454 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 454 V HN 0.000 nan 8.190 nan 0.000 0.556